SAINT V8.38A saint 2F4hIX.slm /BATCH /CONFIG:2F4hIX.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 78 Total topped/rescanned pixels: 443 Minimum pixel ceiling(frame): 14880000(cu_marc004_01_0001.sfrm) Maximum pixel ceiling(frame): 14880000(cu_marc004_01_0001.sfrm) Total spots predicted: 47776 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 9774* Outside frame limits: 914* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 11* 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: 37037 Total spot components written: 37037 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 37037 Twin overlaps written: 0 Average Intensity: 14296.86 Average I/sigma: 33.413 % over "strong" threshold: 51.16 % less than 2 sigma: 19.67 % which spanned more than 1 frame: 39.17 Average X,Y,Z positional errors: 0.08 -0.09 -0.01 RMS X,Y,Z positional errors: 1.29 0.66 0.31 % X,Y,Z more than 0.5 pixel: 37.77 26.03 8.96 % X,Y,Z more than 1.0 pixel: 20.54 8.19 1.62 Avg % profile volume populated: 96.53 Avg % profile volume integrated: 27.65 Avg % profile missing I: 3.53 Avg % profile missing volume: 3.47 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 34.95 12.41 38.73 Average spot-shape correlation: 0.664 RMS spot-shape correlation: 0.715 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.261 0.214 4903 1.0 2.0 0.539 0.160 2382 2.0 4.0 0.693 0.149 3270 4.0 8.0 0.748 0.146 5273 8.0 16.0 0.764 0.149 7171 16.0 32.0 0.780 0.149 8115 32.0 64.0 0.826 0.148 4455 64.0 128.0 0.902 0.119 1181 128.0 256.0 0.946 0.067 287 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: 37037 LS-fit intensities scaled: 16180 Full overlaps included in above: 0 Rejected due to poor spot shape: 194 Unwritable (I, sigma too large): 0 Number written: 36843 Sorting Reflection File ============================== 01/13/2020 10:03:03 Integration of marc004 Merging input files 1 cu_marc004_01.raw 2 cu_marc004_02.raw 3 cu_marc004_03.raw 4 cu_marc004_04.raw 5 cu_marc004_05.raw 6 cu_marc004_06.raw 7 cu_marc004_07.raw 8 cu_marc004_08.raw 9 cu_marc004_09.raw 10 cu_marc004_10.raw 11 cu_marc004_11.raw 12 cu_marc004_12.raw 13 cu_marc004_13.raw 14 cu_marc004_14.raw 15 cu_marc004_15.raw 16 cu_marc004_16.raw 17 cu_marc004_17.raw 18 cu_marc004_18.raw Merging to output file: cu_marc004_0m.raw 2229 spot components in 2229 spots read from file 1--/smb/isengard/data/marc004/work/cu_marc004_01.raw 2060 spot components in 2060 spots read from file 2--/smb/isengard/data/marc004/work/cu_marc004_02.raw 1977 spot components in 1977 spots read from file 3--/smb/isengard/data/marc004/work/cu_marc004_03.raw 2030 spot components in 2030 spots read from file 4--/smb/isengard/data/marc004/work/cu_marc004_04.raw 2060 spot components in 2060 spots read from file 5--/smb/isengard/data/marc004/work/cu_marc004_05.raw 2046 spot components in 2046 spots read from file 6--/smb/isengard/data/marc004/work/cu_marc004_06.raw 1123 spot components in 1123 spots read from file 7--/smb/isengard/data/marc004/work/cu_marc004_07.raw 2245 spot components in 2245 spots read from file 8--/smb/isengard/data/marc004/work/cu_marc004_08.raw 2233 spot components in 2233 spots read from file 9--/smb/isengard/data/marc004/work/cu_marc004_09.raw 2251 spot components in 2251 spots read from file 10--/smb/isengard/data/marc004/work/cu_marc004_10.raw 2043 spot components in 2043 spots read from file 11--/smb/isengard/data/marc004/work/cu_marc004_11.raw 2041 spot components in 2041 spots read from file 12--/smb/isengard/data/marc004/work/cu_marc004_12.raw 2028 spot components in 2028 spots read from file 13--/smb/isengard/data/marc004/work/cu_marc004_13.raw 2046 spot components in 2046 spots read from file 14--/smb/isengard/data/marc004/work/cu_marc004_14.raw 2030 spot components in 2030 spots read from file 15--/smb/isengard/data/marc004/work/cu_marc004_15.raw 2336 spot components in 2336 spots read from file 16--/smb/isengard/data/marc004/work/cu_marc004_16.raw 2028 spot components in 2028 spots read from file 17--/smb/isengard/data/marc004/work/cu_marc004_17.raw 2037 spot components in 2037 spots read from file 18--/smb/isengard/data/marc004/work/cu_marc004_18.raw 36843 spot components in 36843 spots written to file /smb/isengard/data/marc004/work/cu_marc004_0m.raw Computing Reflection File Statistics ========== 01/13/2020 10:03:04 Integration of marc004 ................................................................................... Statistics for reflections in cu_marc004_0m.raw File is in BrukerAXS area detector ASCII format Number of lines read (incl comments) = 36843 Number of reflection records read = 36843 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 36843 Number of spot components used = 36843 ................................................................................... Integration of marc004 Statistics for sample 1 of 1 in cu_marc004_0m.raw Lattice: C (C-centered) 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 19.909 11.312 22.079 90.000 90.067 90.000 2/mB Monoclinic B-uniq Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 910 445 556 883 16.8 22878.496 64.21 5.30 0.050 -0.010 1.9 0.044 0.050 0.83 2.3-.30-.02 4.5 1.4 .45 32.000 1395 661 777 1389 17.6 16857.941 55.35 5.31 0.048 -0.006 1.4 0.043 0.048 0.84 .26-.18 .01 2.2 .97 .40 64.000 1587 740 841 1572 17.6 17319.250 53.29 5.42 0.047 0.005 1.4 0.046 0.051 0.95 .05-.12 .02 1.4 .74 .39 96.000 1861 831 944 1846 18.5 16559.568 47.17 5.46 0.050 0.007 1.2 0.043 0.056 0.96 .08-.16 .00 1.3 .76 .35 128.000 2070 940 1042 2055 20.9 16450.808 43.25 5.52 0.051 0.001 1.2 0.047 0.056 1.03 .06-.09 .01 1.2 .70 .33 160.000 2437 1021 1117 2423 20.2 13235.669 36.51 5.57 0.048 -0.001 1.1 0.048 0.050 0.81 .03-.10-.01 1.2 .69 .33 192.000 2652 1069 1155 2640 21.3 11354.408 30.88 5.61 0.051 0.011 1.0 0.046 0.060 1.04 .04-.10 .00 1.1 .61 .32 224.000 2682 1025 1125 2670 23.5 10298.619 27.61 5.57 0.054 0.003 1.0 0.054 0.047 0.73 .07-.08-.01 1.1 .63 .31 256.000 2911 1073 1170 2898 22.3 13470.123 31.76 5.53 0.053 0.017 1.1 0.050 0.050 0.82 .03-.08-.01 1.0 .65 .30 288.000 3087 1063 1163 3075 21.6 12810.052 29.82 5.41 0.058 0.014 1.0 0.054 0.060 1.00-.06-.07 .00 .99 .59 .30 320.000 2888 910 999 2874 18.9 13915.749 29.66 5.28 0.050 0.001 1.0 0.049 0.054 0.92-.02-.07-.02 .00 .57 .28 352.000 2942 866 925 2934 17.2 14242.023 29.66 5.17 0.054 -0.005 1.1 0.053 0.055 0.84-.01-.05-.02 .83 .54 .27 384.000 2824 942 990 2819 18.9 13996.410 28.42 5.09 0.055 -0.011 1.1 0.053 0.049 0.77 .02-.06-.01 .83 .55 .28 416.000 2600 606 643 2594 19.7 15967.911 30.03 5.03 0.054 -0.009 1.1 0.052 0.048 0.74 .03-.06-.03 .78 .52 .26 448.000 2339 806 836 2334 15.6 14442.643 28.15 4.94 0.055 -0.008 1.1 0.053 0.051 0.81 .07-.09-.03 .73 .55 .25 480.000 1658 543 562 1655 21.7 13432.562 26.08 4.87 0.088 -0.016 1.4 0.079 0.068 0.86-.25-.04-.02 1.0 .56 .27 512.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_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 1216 1001 1056 1205 18.6 12831.010 31.60 4.92 0.071 -0.033 1.4 0.065 0.057 0.79-.02 .11-.02 1.4 .81 .29 32.000 1801 1458 1524 1791 18.6 12241.675 31.43 5.01 0.063 -0.022 1.3 0.056 0.057 0.83 .01-.05-.01 1.4 .67 .30 64.000 2065 1617 1699 2045 19.5 17061.988 38.50 5.12 0.059 -0.018 1.2 0.050 0.059 0.89 .03-.05-.01 1.3 .57 .32 96.000 2290 1798 1885 2272 19.7 12642.243 31.44 5.23 0.054 -0.003 1.1 0.050 0.052 0.78 .06-.06 .01 1.3 .53 .33 128.000 2428 1817 1912 2407 18.6 15273.058 34.95 5.31 0.054 0.000 1.2 0.047 0.053 0.86 .02-.06 .00 1.0 .45 .31 160.000 2719 1998 2111 2702 20.2 13684.623 32.93 5.41 0.054 -0.000 1.1 0.048 0.055 0.82 .03-.06 .00 1.2 .48 .31 192.000 2773 2017 2123 2760 19.0 12821.408 30.67 5.48 0.054 0.006 1.1 0.052 0.049 0.73 .05-.06 .00 1.2 .45 .33 224.000 2864 2057 2179 2845 21.4 14597.640 33.87 5.52 0.049 0.007 1.1 0.050 0.049 0.78 .05-.06-.01 1.2 .48 .30 256.000 2836 2032 2165 2821 18.5 15097.781 33.83 5.54 0.053 0.011 1.1 0.050 0.051 0.78 .07-.07-.01 1.2 .48 .31 288.000 2865 2097 2240 2855 19.3 15096.812 34.31 5.51 0.051 0.013 1.1 0.050 0.049 0.77 .10-.08-.01 1.2 .53 .31 320.000 2708 1966 2091 2701 20.5 14562.273 33.70 5.46 0.050 0.017 1.1 0.049 0.050 0.81 .10-.10-.01 1.2 .57 .32 352.000 2552 1885 2016 2548 19.1 14772.175 33.46 5.38 0.049 0.010 1.1 0.049 0.055 0.88 .05-.10-.02 1.3 .67 .31 384.000 2408 1815 1946 2403 20.9 13191.543 31.83 5.30 0.055 -0.003 1.1 0.052 0.057 0.85 .15-.12-.01 1.3 .71 .32 416.000 2119 1641 1749 2114 20.4 14336.333 33.55 5.20 0.049 -0.001 1.1 0.048 0.055 0.89 .15-.15-.02 1.4 .81 .31 448.000 1936 1476 1586 1934 22.1 13945.251 32.91 5.10 0.051 -0.010 1.1 0.052 0.054 0.82 .17-.18-.02 1.7 1.1 .30 480.000 1263 1035 1108 1258 19.5 14876.618 33.68 5.02 0.069 -0.024 1.4 0.071 0.057 0.79 .29-.46-.01 1.7 1.5 .29 512.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 583 401 422 580 24.7 10259.978 26.64 5.78 0.056 0.025 0.9 0.054 0.043 0.69 .09-.03-.03 1.1 .48 .29 30.000 1832 1158 1235 1831 22.5 11878.952 29.13 5.79 0.051 0.021 1.0 0.052 0.050 0.76 .07-.07-.01 1.1 .48 .31 60.000 2985 1723 1841 2971 21.4 12630.016 30.91 5.67 0.052 0.019 1.0 0.053 0.051 0.81-.02-.05 .00 1.1 .48 .31 90.000 3812 2076 2245 3794 21.0 12309.522 29.97 5.57 0.051 0.011 1.0 0.051 0.049 0.77 .01-.07-.00 1.1 .50 .30 120.000 4602 2417 2605 4583 19.2 14476.600 33.34 5.47 0.051 0.010 1.1 0.047 0.056 0.91 .02-.07-.00 1.0 .52 .30 150.000 5135 2669 2863 5110 19.2 14529.578 33.84 5.35 0.051 0.003 1.1 0.048 0.052 0.82 .04-.08-.01 .00 .54 .31 180.000 5387 2741 2954 5356 19.3 15172.610 34.55 5.24 0.051 -0.001 1.1 0.048 0.053 0.87 .02-.09-.00 1.0 .60 .32 210.000 5618 2843 3118 5582 19.3 15420.048 36.13 5.13 0.050 -0.010 1.2 0.048 0.052 0.82 .06-.11-.01 1.2 .71 .31 240.000 4137 2244 2450 4114 18.6 14501.104 33.83 5.03 0.061 -0.016 1.3 0.058 0.055 0.83 .20-.13-.02 1.6 .83 .31 270.000 2752 1526 1627 2740 19.1 15503.502 34.87 4.90 0.070 -0.022 1.5 0.065 0.054 0.78 .43-.15-.02 2.4 1.1 .31 300.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 7902 2875 3283 7863 20.4 14596.743 40.43 5.52 0.048 0.008 1.2 0.047 0.056 0.93 .27-.19-.01 1.8 .90 .35 2.000 10783 2915 3113 10769 19.6 14441.778 29.66 5.23 0.055 0.002 1.1 0.055 0.053 0.87 .01-.09-.02 .92 .65 .28 3.000 7692 2833 3186 7615 19.9 14474.401 41.06 5.48 0.052 -0.005 1.2 0.046 0.055 0.95 .14-.05 .01 1.6 .61 .35 4.000 10466 2925 3153 10414 19.4 13588.203 28.99 5.16 0.058 -0.005 1.1 0.054 0.054 0.85-.04-.04-.01 .89 .47 .28 5.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 5794 2536 2745 5774 22.1 12243.182 30.03 5.72 0.052 0.020 1.0 0.052 0.050 0.81 .02-.06-.01 1.1 .49 .31 2.000 4142 1668 1725 4128 19.1 15125.785 29.05 5.13 0.056 0.001 1.1 0.054 0.051 0.76-.01-.06-.02 .78 .44 .26 3.000 5371 2128 2227 5368 18.7 14181.366 28.57 5.10 0.056 -0.005 1.1 0.057 0.051 0.79 .01-.08-.03 .91 .65 .27 4.000 3462 1980 2125 3460 21.6 13225.597 31.68 5.38 0.054 -0.001 1.1 0.050 0.056 0.91 .06-.18-.01 1.1 .92 .30 5.000 3671 1788 2034 3653 20.8 15009.758 43.75 5.41 0.047 0.008 1.2 0.045 0.055 0.95 .38-.25-.01 2.1 1.1 .35 6.000 2567 1209 1426 2530 16.5 18690.298 53.62 5.62 0.048 0.006 1.5 0.044 0.048 0.84 .37-.12 .01 2.0 .62 .41 7.000 3487 1758 1924 3458 19.1 16686.233 47.06 5.39 0.053 -0.009 1.3 0.044 0.058 1.02 .17-.04 .02 1.8 .69 .36 8.000 3249 1861 1988 3212 21.5 11538.115 30.23 5.25 0.057 -0.003 1.1 0.052 0.053 0.85-.04-.03-.01 .97 .55 .30 9.000 5100 2024 2149 5078 17.9 13789.451 28.59 5.02 0.060 -0.017 1.1 0.054 0.051 0.74-.05-.04-.01 .88 .48 .28 10.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.630 2726 2137 2140 2723 19.6 15139.823 33.81 5.38 0.065 -0.016 1.4 0.064 0.055 0.82 .10-.00-.01 1.4 .47 .34 12.558 2937 2238 2299 2925 19.4 14693.488 33.59 5.35 0.058 -0.012 1.3 0.052 0.054 0.80 .03 .01 .01 1.3 .45 .34 24.486 2938 2036 2225 2927 18.8 13095.922 30.55 5.33 0.055 0.009 1.2 0.051 0.055 0.83 .03-.04-.01 1.2 .55 .32 36.414 2909 1941 2178 2902 18.5 13346.618 31.25 5.32 0.061 0.024 1.2 0.058 0.056 0.87 .05-.11-.01 1.2 .50 .33 48.342 2951 1990 2200 2942 19.0 13777.207 32.59 5.32 0.054 0.020 1.1 0.052 0.052 0.84 .07-.11 .01 1.3 .54 .31 60.270 2933 2002 2103 2920 20.7 13718.121 32.60 5.31 0.051 0.016 1.1 0.052 0.051 0.80 .07-.10 .01 1.2 .51 .30 72.198 2928 1937 2053 2906 20.8 15395.007 34.24 5.33 0.050 0.006 1.1 0.048 0.051 0.79 .07-.07-.01 1.3 .68 .30 84.126 2953 1913 2099 2924 21.0 13214.203 30.97 5.34 0.047 -0.012 1.0 0.044 0.055 0.87 .07-.05-.03 1.3 .87 .30 96.054 2899 1969 2125 2883 21.5 14874.583 33.96 5.37 0.049 -0.015 1.0 0.046 0.059 0.92 .06-.08-.02 1.3 .68 .30 107.982 2920 2018 2100 2906 21.4 13501.410 31.61 5.37 0.053 -0.018 1.1 0.050 0.048 0.70 .06-.16-.01 1.4 .59 .30 119.910 2926 2179 2189 2924 19.5 13873.330 31.90 5.32 0.059 -0.007 1.1 0.057 0.059 0.89 .11-.19 .00 1.4 .66 .30 131.838 1255 1150 1150 1255 18.2 16753.891 37.99 5.30 0.056 0.011 1.3 0.056 0.058 0.87 .16-.32 .02 1.3 .82 .28 143.766 450 446 449 450 12.7 21317.316 49.37 5.22 0.052 0.036 1.6 0.046 0.064 1.04 .16-.44-.08 1.0 1.4 .21 155.694 466 464 464 466 19.1 15950.081 43.15 5.20 0.056 0.023 1.3 0.043 0.061 0.95 .07 .05-.04 .74 .77 .27 167.622 448 446 448 448 19.2 9626.257 30.82 5.15 0.050 0.010 1.0 0.043 0.053 0.75 .15-.03-.01 1.2 1.2 .31 179.550 473 464 472 472 19.7 9455.313 29.22 5.14 0.045 -0.004 0.9 0.044 0.053 0.74 .22-.06-.04 1.1 1.0 .33 191.478 454 435 454 447 14.1 15881.179 41.48 5.17 0.038 -0.014 1.0 0.033 0.059 0.92 .17-.29-.06 .91 .89 .28 203.406 451 376 437 435 18.8 16356.649 43.10 5.20 0.032 -0.010 1.0 0.030 0.041 0.61 .14-.21-.05 .94 .00 .31 215.334 442 329 388 428 20.6 14232.494 40.12 5.21 0.048 -0.021 1.1 0.042 0.052 0.79 .19 .24-.02 .83 .97 .33 227.262 384 317 347 378 20.6 18360.056 46.84 5.28 0.046 -0.023 1.1 0.046 0.040 0.62 .18 .07 .01 .77 .69 .31 239.190 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_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 1186 1006 1095 1182 21.4 8962.245 22.83 5.27 0.081 -0.013 1.2 0.075 0.063 0.77 .14-.10 .00 1.7 .51 .35 10.000 1265 1088 1157 1259 21.2 10296.950 26.29 5.28 0.060 -0.002 1.1 0.058 0.053 0.73 .06-.13-.02 1.3 .50 .31 20.000 1257 1112 1135 1257 21.7 9638.772 25.00 5.28 0.054 -0.004 1.0 0.049 0.052 0.71 .01-.16-.00 1.3 .53 .33 30.000 1288 1126 1144 1286 21.5 9515.153 24.55 5.31 0.059 -0.000 1.0 0.057 0.051 0.68 .07-.22-.01 1.4 .62 .33 40.000 1266 1042 1075 1266 22.1 10303.668 25.47 5.31 0.053 0.006 1.0 0.052 0.057 0.77 .11-.27-.04 1.5 .60 .33 50.000 1255 947 1020 1255 23.3 8467.736 22.07 5.33 0.054 -0.003 0.9 0.051 0.053 0.70 .06-.33-.04 1.5 .73 .31 60.000 1268 941 1039 1266 20.3 8878.202 22.70 5.34 0.054 -0.008 1.0 0.054 0.052 0.69 .13-.38-.04 1.5 .71 .32 70.000 1273 933 1029 1270 22.4 8349.873 21.45 5.35 0.058 -0.010 1.0 0.056 0.047 0.63 .04-.33-.01 1.4 .70 .32 80.000 1246 959 1023 1242 25.1 7974.285 21.00 5.36 0.059 -0.023 1.0 0.059 0.048 0.65 .07-.17 .01 1.6 .64 .33 90.000 1374 1113 1144 1372 21.3 9441.447 23.79 5.33 0.056 -0.012 1.0 0.058 0.047 0.65 .08-.12-.00 1.6 .60 .30 100.000 1503 1309 1318 1503 22.4 9206.199 23.55 5.28 0.058 -0.007 1.0 0.062 0.041 0.55 .01-.06 .01 1.4 .59 .30 110.000 1576 1436 1437 1576 21.5 9754.977 24.89 5.28 0.062 -0.016 1.1 0.062 0.049 0.64 .08 .01 .01 1.4 .64 .31 120.000 1560 1379 1385 1560 21.5 12913.098 30.46 5.25 0.060 -0.013 1.1 0.063 0.060 0.86 .11 .05 .01 1.6 .81 .30 130.000 571 519 545 571 21.9 16835.661 39.08 5.27 0.050 -0.003 1.3 0.051 0.042 0.71-.01 .54 .03 .89 1.2 .27 140.000 631 543 582 631 16.0 23030.251 47.95 5.36 0.047 0.017 1.4 0.050 0.037 0.62-.02 .54-.00 .63 1.2 .23 150.000 591 530 562 591 13.9 30855.050 50.28 5.42 0.050 0.036 1.4 0.051 0.056 1.00 .01 .13-.01 .50 .56 .21 160.000 616 533 575 612 13.1 21086.797 44.89 5.41 0.049 0.029 1.4 0.047 0.039 0.69 .06-.10-.01 .57 .57 .20 170.000 616 545 577 613 17.0 19450.667 43.79 5.38 0.050 0.039 1.4 0.049 0.044 0.74 .09-.19 .01 .79 .73 .25 180.000 630 544 579 624 14.3 25011.587 50.81 5.38 0.055 0.042 1.6 0.048 0.041 0.70 .11-.21-.00 .60 .71 .22 190.000 635 572 600 633 15.1 27130.834 55.29 5.36 0.047 0.029 1.6 0.040 0.051 0.95 .15-.29 .02 .63 .79 .25 200.000 627 550 578 623 12.3 28384.898 53.67 5.38 0.048 0.033 1.6 0.046 0.054 0.95 .13-.27 .01 .65 .81 .20 210.000 633 558 580 631 11.4 29094.108 52.93 5.34 0.042 0.028 1.5 0.038 0.053 0.98 .15-.23-.03 .70 .92 .19 220.000 626 537 571 615 12.8 24553.019 48.81 5.39 0.039 0.019 1.2 0.037 0.053 1.06 .09-.17-.04 .84 .90 .21 230.000 625 508 558 607 18.2 22443.249 47.12 5.30 0.041 0.011 1.3 0.037 0.056 0.95-.00 .04-.03 .55 .51 .22 240.000 623 549 593 604 16.2 20477.670 44.62 5.33 0.042 -0.002 1.1 0.042 0.046 0.78 .05 .06-.02 .59 .49 .23 250.000 617 537 577 608 16.0 24315.310 47.86 5.34 0.041 -0.013 1.2 0.045 0.048 0.81 .11 .05-.01 .86 .79 .27 260.000 643 548 606 641 16.5 26480.030 52.57 5.40 0.045 -0.029 1.4 0.043 0.057 1.08 .06 .05-.01 .83 .85 .24 270.000 635 548 589 634 13.9 27276.661 51.79 5.36 0.038 -0.019 1.3 0.034 0.051 0.90 .05 .08-.02 .73 .63 .25 280.000 755 647 681 751 12.8 24601.094 48.31 5.35 0.061 -0.033 1.4 0.058 0.049 0.70 .07-.03-.05 .92 .66 .28 290.000 1591 1372 1399 1587 20.7 12129.240 29.96 5.37 0.070 -0.018 1.2 0.061 0.061 0.85 .12-.06 .00 1.4 .52 .35 300.000 1422 1238 1265 1411 20.3 13895.509 33.18 5.35 0.063 -0.017 1.2 0.052 0.063 0.90 .14-.04-.01 1.6 .55 .37 310.000 1342 1130 1193 1319 20.1 12412.445 29.38 5.34 0.059 -0.023 1.2 0.053 0.061 0.83 .07-.06-.00 1.3 .56 .36 320.000 1302 1075 1139 1284 21.0 11737.467 29.41 5.32 0.054 -0.012 1.1 0.045 0.064 0.92 .07 .01 .01 1.4 .53 .37 330.000 1335 1006 1120 1328 21.0 12893.829 29.32 5.32 0.060 -0.012 1.1 0.051 0.074 1.16 .05-.03-.01 1.3 .61 .36 340.000 1293 957 1096 1285 22.4 10153.930 26.10 5.27 0.057 0.000 1.0 0.050 0.055 0.76 .14-.06-.01 1.5 .54 .37 350.000 1167 928 1027 1164 20.2 9257.486 23.58 5.27 0.069 0.004 1.0 0.064 0.061 0.82 .08-.15-.02 1.4 .49 .37 360.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2306 1323 1352 2306 14.9 22988.927 40.85 5.15 0.054 0.039 1.3 0.049 0.050 0.82 .01 .08 .00 .60 .29 .22 0.683 2155 1680 1810 2154 21.4 8569.415 22.26 5.31 0.058 -0.027 0.9 0.057 0.064 0.82 .09-.07-.01 1.4 .43 .33 1.366 2067 1518 1732 2015 14.9 26462.237 50.94 5.43 0.039 -0.018 1.3 0.036 0.048 0.90 .04 .04 .01 .77 .32 .23 2.049 2150 1780 1940 2146 20.8 8278.889 19.90 5.33 0.075 0.009 1.1 0.065 0.062 0.77 .11-.21-.03 1.6 .56 .39 2.732 2157 1409 1467 2150 23.5 7235.823 18.86 5.27 0.069 -0.050 1.0 0.068 0.079 0.90 .11-.23-.01 1.6 .53 .33 3.415 1879 1582 1718 1866 23.5 17398.168 39.46 5.54 0.043 0.018 1.2 0.043 0.049 0.82 .02-.25-.02 1.4 .50 .28 4.098 1231 832 1020 1202 11.4 54337.790 80.86 6.29 0.038 -0.009 1.7 0.038 0.052 0.97 .02 .03-.00 .49 .47 .18 4.781 1391 1238 1257 1391 18.8 12052.700 33.20 5.27 0.069 0.060 1.4 0.057 0.061 0.87 .13-.07-.01 1.0 1.2 .24 5.464 1982 1458 1557 1977 17.0 21530.639 41.81 5.19 0.044 0.026 1.1 0.043 0.047 0.84 .08-.01-.03 .73 .53 .25 6.147 1641 1252 1261 1636 14.5 21955.991 46.07 5.27 0.046 -0.033 1.3 0.046 0.050 0.83-.07 .19 .03 .54 .64 .24 6.830 1372 999 1140 1329 14.0 22318.805 51.79 5.19 0.036 -0.008 1.1 0.039 0.044 0.72 .13-.12-.01 .74 .59 .21 7.513 2143 1323 1413 2142 22.3 7493.163 19.40 5.30 0.084 -0.074 1.1 0.069 0.086 0.91 .16-.11-.02 1.7 .50 .34 8.196 2121 1736 1876 2119 23.4 6757.607 17.89 5.31 0.086 -0.051 1.1 0.092 0.072 0.77 .04-.24-.02 1.6 .55 .38 8.879 2158 1607 1696 2151 23.8 7904.120 19.68 5.29 0.046 0.011 0.7 0.045 0.045 0.61 .10-.22-.04 1.6 .50 .38 9.562 2131 1621 1692 2124 23.5 8361.479 20.40 5.29 0.067 0.055 1.0 0.058 0.046 0.65 .07-.20-.02 1.7 .57 .36 10.245 1935 1791 1879 1932 20.2 8479.194 22.18 5.25 0.090 -0.073 1.3 0.078 0.063 0.73 .10-.17 .01 1.6 .58 .32 10.928 1436 1213 1261 1435 17.3 12142.697 33.53 5.16 0.060 -0.007 1.3 0.052 0.055 0.78 .09 .00-.00 .71 1.0 .20 11.611 1843 1198 1218 1843 22.6 10978.513 27.18 5.27 0.073 0.032 1.2 0.058 0.069 0.97 .08 .06-.01 1.3 .48 .34 12.294 1512 1329 1334 1510 20.6 7196.678 21.14 5.36 0.057 0.030 0.9 0.068 0.061 0.73 .07 .08 .03 1.5 1.1 .33 12.977 1233 1176 1176 1233 20.4 7412.691 25.77 5.30 0.063 0.047 1.1 0.040 0.077 0.95 .23-.33-.00 1.2 1.6 .41 13.660 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 2229 1246 1275 2229 14.4 23604.490 41.42 5.14 0.054 0.039 1.3 0.049 0.050 0.83 .00 .08 .00 .56 .29 .22 2.000 2060 1508 1638 2059 22.6 7056.890 18.74 5.30 0.054 -0.012 0.8 0.054 0.069 0.81 .11-.07-.01 1.4 .43 .34 3.000 1977 1259 1473 1925 13.2 29191.817 54.46 5.43 0.041 -0.020 1.4 0.038 0.047 0.91-.01 .04 .01 .47 .30 .18 4.000 2030 1524 1680 2026 22.3 7456.857 18.48 5.34 0.068 0.032 0.9 0.063 0.048 0.62 .12-.22-.02 1.7 .58 .40 5.000 2060 1123 1178 2059 21.7 7881.880 19.69 5.29 0.083 -0.066 1.1 0.073 0.088 0.95 .17-.24-.02 1.6 .53 .33 6.000 2046 1492 1582 2037 25.6 7497.273 20.11 5.28 0.056 -0.013 0.9 0.052 0.046 0.61 .01-.22-.02 1.5 .50 .31 7.000 1123 459 650 1084 10.2 71739.925 90.07 6.74 0.037 0.000 2.1 0.036 0.054 1.16 .03 .04 .00 .27 .25 .17 8.000 2245 1961 2010 2244 18.5 13184.104 35.42 5.29 0.057 0.031 1.3 0.050 0.057 0.83 .12-.08-.02 .00 1.1 .26 9.000 2233 1460 1543 2226 15.7 22905.626 41.33 5.20 0.048 0.010 1.2 0.047 0.049 0.84-.00 .03-.02 .56 .29 .23 10.000 2251 1644 1787 2206 13.8 23094.215 53.61 5.22 0.036 -0.014 1.2 0.038 0.044 0.74 .05 .05 .02 .56 .69 .21 11.000 2043 1231 1320 2043 22.2 7541.061 19.50 5.30 0.073 -0.062 1.0 0.061 0.085 0.92 .15-.11-.02 1.7 .48 .32 12.000 2041 1481 1622 2038 23.4 6853.326 18.15 5.31 0.093 -0.058 1.2 0.097 0.074 0.81 .07-.25-.01 1.7 .58 .40 13.000 2028 1557 1645 2022 23.9 7472.120 18.87 5.31 0.053 0.006 0.8 0.052 0.045 0.60 .10-.23-.05 1.5 .49 .38 14.000 2046 1590 1661 2038 23.7 8157.133 20.19 5.27 0.066 0.043 1.0 0.058 0.046 0.65 .04-.21-.03 1.6 .56 .35 15.000 2030 1599 1671 2027 22.1 7598.874 19.32 5.27 0.074 -0.029 1.1 0.063 0.067 0.79 .12-.16 .01 1.8 .54 .36 16.000 2336 1923 2002 2335 16.7 13815.520 36.72 5.19 0.064 -0.030 1.4 0.056 0.055 0.78 .09 .02-.01 .69 .90 .20 17.000 2028 1094 1104 2027 24.0 7797.018 19.49 5.27 0.087 0.073 1.1 0.076 0.072 0.96 .07 .00 .01 1.6 .42 .38 18.000 2037 1855 1856 2036 19.7 7363.453 25.35 5.37 0.057 0.035 1.0 0.045 0.064 0.79 .16-.11 .01 1.2 1.5 .37 19.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1979 572 647 1955100.0 -20.967 -0.13 5.30 1.187 -2.371 0.4 1.139 1.128 0.71 .14 .04 .14 2.6 .90 .47 0.100 923 487 523 916 99.9 54.978 0.34 5.31 0.836 -0.181 0.3 0.798 0.746 0.64 .18-.01 .10 2.8 .95 .49 0.200 1005 561 597 1002 96.8 155.173 0.94 5.33 0.482 -0.137 0.4 0.432 0.332 0.72 .10-.08 .12 2.4 .99 .46 0.300 1283 828 868 1278 74.3 1855.181 8.53 5.31 0.123 -0.065 0.7 0.117 0.076 0.66 .11-.06 .09 2.2 .78 .41 0.400 2344 1468 1562 2336 41.3 4501.317 15.94 5.32 0.083 -0.029 1.0 0.076 0.064 0.72 .07-.11 .03 1.7 .97 .36 0.500 3392 1954 2083 3380 20.5 7032.987 20.31 5.32 0.073 -0.008 1.0 0.067 0.064 0.81 .09-.12-.01 1.4 .72 .32 0.600 6160 2602 2806 6146 7.5 9150.851 22.93 5.29 0.066 -0.006 1.1 0.061 0.062 0.81 .09-.15-.04 1.1 .67 .31 0.700 6231 2650 2823 6218 3.3 11310.436 25.57 5.26 0.062 0.004 1.2 0.057 0.056 0.79 .07-.14-.05 .84 .63 .30 0.800 7371 2945 3131 7344 1.6 16208.626 31.97 5.23 0.056 0.002 1.3 0.052 0.053 0.83 .07-.11-.04 .63 .54 .26 0.900 6155 1998 2295 6086 0.1 39211.967 59.89 5.55 0.042 0.002 1.7 0.040 0.052 0.94 .03 .01-.02 .33 .34 .16 1.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 35177 4600 5283 35021 19.7 14363.863 33.60 5.34 0.051 0.001 1.1 0.049 0.056 0.92 .02-.08-.01 1.0 .57 .31 0.050 298 245 263 296 17.8 9676.522 26.26 5.07 0.074 -0.022 1.4 0.075 0.081 0.81 .04-.20-.02 1.7 .94 .36 0.100 161 129 147 159 21.1 14660.657 38.18 5.02 0.069 0.002 1.5 0.058 0.062 1.02 .36-.16-.04 1.8 .93 .43 0.150 185 145 163 183 23.2 9778.067 27.01 5.04 0.131 -0.078 1.9 0.111 0.099 0.87 .30-.09 .02 1.9 1.2 .38 0.200 162 122 134 161 23.5 23291.526 46.95 5.06 0.082 -0.038 2.1 0.087 0.077 0.81 .94-.26-.00 2.8 1.2 .35 0.250 146 113 124 145 19.9 13493.684 29.74 5.02 0.110 -0.016 2.1 0.112 0.105 0.89 .69-.24 .01 2.7 .90 .29 0.300 114 90 105 111 20.2 16273.462 35.88 5.02 0.148 0.035 2.5 0.109 0.102 1.03 1.8-.31-.03 4.1 1.4 .43 0.350 134 113 122 132 26.1 10248.252 25.46 5.01 0.178 0.084 1.9 0.150 0.117 1.15 2.8-.11-.03 5.5 1.8 .48 0.400 124 95 114 122 16.1 6895.506 17.20 5.03 0.112 0.002 1.4 0.104 0.101 0.78 2.9-.48-.05 5.2 2.2 .56 0.450 131 102 122 125 23.7 6482.851 18.66 5.05 0.165 -0.031 1.8 0.154 0.122 0.75 4.0-1.1-.06 6.3 2.7 .51 0.500 95 84 92 93 28.4 6634.416 15.61 5.01 0.195 -0.099 1.9 0.161 0.131 1.04 2.5-.84-.00 4.9 2.6 .42 0.550 116 99 110 113 25.9 8478.928 17.17 4.97 0.175 -0.052 1.9 0.194 0.100 0.90 2.0-.75 .02 5.0 2.8 .34 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 marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_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 1759 1306 1385 1746 39.4 7598.076 23.85 5.31 0.063 -0.019 0.9 0.061 0.055 0.74-.04-.07 .02 1.5 .73 .33 0.050 1891 1418 1493 1884 35.1 9617.477 27.81 5.32 0.055 -0.011 1.0 0.052 0.052 0.77-.09-.08 .00 1.4 .65 .32 0.100 1849 1426 1508 1845 25.7 11528.238 29.78 5.30 0.059 0.003 1.1 0.054 0.054 0.81-.10-.07-.01 1.3 .71 .30 0.150 1996 1493 1566 1994 17.8 11014.925 27.10 5.29 0.062 -0.012 1.1 0.058 0.053 0.76-.11-.12-.02 1.3 .82 .30 0.200 1589 1234 1307 1585 13.3 12954.705 30.02 5.37 0.053 0.003 1.2 0.056 0.060 0.90-.03-.10-.03 1.5 .63 .33 0.250 1334 1055 1125 1332 10.6 15952.360 34.68 5.33 0.052 0.003 1.2 0.051 0.053 0.80 .13-.09-.03 1.7 .75 .34 0.300 1576 1201 1273 1567 9.5 16354.180 33.44 5.30 0.059 0.012 1.3 0.056 0.052 0.78 .18-.12-.04 1.5 .69 .30 0.350 1441 1156 1218 1433 12.5 17433.590 37.89 5.39 0.052 0.002 1.4 0.048 0.053 0.80 .21-.10-.04 1.3 .68 .30 0.400 1885 1417 1514 1862 16.3 14791.892 34.86 5.40 0.052 0.006 1.1 0.050 0.049 0.73 .39-.12-.03 1.5 .67 .30 0.450 4369 2463 2670 4338 7.1 23332.992 40.46 5.33 0.050 0.004 1.4 0.049 0.052 0.85 .20-.09-.01 .87 .51 .23 0.500 2987 1957 2097 2972 8.7 24948.957 43.07 5.34 0.052 0.005 1.4 0.047 0.054 0.92 .11-.07-.09 .93 .52 .26 0.550 1795 1375 1460 1781 18.2 17165.462 39.35 5.37 0.049 0.003 1.2 0.047 0.054 0.88 .15-.11-.02 1.2 .67 .32 0.600 1286 1045 1111 1276 18.6 12451.031 32.17 5.31 0.051 -0.005 1.1 0.049 0.045 0.70 .01-.09 .01 1.3 .71 .34 0.650 1525 1152 1234 1521 18.3 14673.165 36.64 5.31 0.049 0.003 1.1 0.041 0.062 1.00 .07-.09 .04 1.4 .64 .36 0.700 1468 1138 1219 1465 17.8 10615.549 27.67 5.30 0.054 -0.008 1.0 0.055 0.049 0.70 .03-.09 .04 1.3 .65 .36 0.750 1122 903 958 1119 22.1 7254.293 21.31 5.29 0.067 -0.013 1.0 0.062 0.058 0.77 .13-.11 .05 1.4 .75 .37 0.800 1816 1337 1411 1810 24.8 7619.616 22.32 5.29 0.061 -0.004 0.9 0.058 0.056 0.75 .10-.11 .02 1.4 .69 .34 0.850 1800 1420 1484 1792 26.8 9677.888 27.17 5.29 0.057 -0.009 1.0 0.054 0.052 0.75 .03-.09-.00 1.2 .73 .31 0.900 1935 1441 1538 1925 35.7 8172.303 24.96 5.30 0.062 -0.018 0.9 0.057 0.053 0.73 .05-.05 .00 1.3 .66 .33 0.950 1420 1110 1174 1414 39.6 8918.506 27.24 5.33 0.054 -0.005 0.9 0.050 0.044 0.65-.05-.07 .01 1.4 .67 .33 1.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 28419 4309 4854 28316 23.2 5971.690 16.84 5.30 0.066 -0.005 0.9 0.063 0.058 0.78 .06-.09-.01 1.3 .52 .33 7540.918 6541 3148 3356 6493 9.9 20312.222 39.30 5.28 0.054 0.003 1.6 0.050 0.053 0.80 .13-.06-.03 1.1 .91 .24 15081.836 1388 710 792 1377 2.7 65156.968 72.36 5.50 0.048 0.004 3.0 0.045 0.050 0.82 .22-.17 .00 1.2 1.4 .20 30163.672 311 133 158 308 0.6 167110.42 121.84 6.01 0.043 0.003 4.5 0.041 0.046 0.80 .18-.11-.01 .96 1.0 .18 60327.344 108 36 56 100 0.0 291632.70 174.29 6.62 0.036 -0.001 6.3 0.036 0.045 0.87 .05 .09-.02 .21 .40 .18 120654.688 46 14 27 44 0.0 455425.07 135.36 8.74 0.038 -0.002 6.6 0.033 0.071 1.81-.00 .03-.01 .11 .18 .16 241309.375 15 5 11 14 0.0 518650.53 166.50 9.35 0.044 -0.003 7.9 0.040 0.068 1.28-.03-.01-.04 .14 .13 .13 482618.750 7 2 7 5 0.0 832049.00 138.53 10.04 0.048 0.023 7.2 0.025 0.109 3.20 .02 .10-.01 .28 .21 .19 965237.500 6 2 4 4 0.0 1342745.5 71.75 10.52 0.044 -0.016 2.7 0.027 0.103 3.20 .00-.03 .07 .08 .09 .16 1930475.0 2 0 2 0 0.0 2766500.0 109.78 10.82 0.000 0.000 0.0 0.000 0.000 0.00-.08 .03 .24 .08 .05 .24 3860950.0 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_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 1.355 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 2.709 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 4.064 25183 4324 4826 25070 19.4 11683.459 27.33 5.11 0.060 -0.003 1.1 0.055 0.056 0.82 .10-.09-.01 1.4 .71 .30 5.419 11245 3033 3335 11207 21.0 16063.857 40.16 5.68 0.048 0.004 1.2 0.046 0.049 0.85 .04-.09-.00 1.2 .57 .33 6.774 228 68 128 221 10.1 63432.600 113.95 7.25 0.037 0.012 2.3 0.034 0.065 1.83 .03 .02 .00 .30 .19 .16 8.128 62 14 43 57 14.5 90940.235 91.46 8.69 0.032 -0.004 2.5 0.025 0.036 1.34-.03 .03-.01 .27 .18 .15 9.483 45 7 32 39 4.4 383741.90 116.31 10.04 0.044 0.002 4.2 0.036 0.111 2.28-.01 .04-.03 .11 .15 .18 10.838 43 6 37 34 16.3 157351.14 107.10 11.49 0.021 -0.001 2.3 0.025 0.037 0.92-.08 .00-.01 .22 .21 .16 12.192 37 6 29 33 5.4 151955.40 99.60 12.70 0.028 -0.004 2.2 0.037 0.053 0.45-.02-.00 .04 .20 .18 .13 13.547 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 2341 1214 1297 2336 64.4 809.453 4.20 5.29 0.174 -0.066 0.6 0.165 0.099 0.60-2.4 .07 .19 2.6 .89 .46 -1.380 357 307 322 356 41.2 1638.831 7.51 5.27 0.112 -0.035 0.7 0.107 0.092 0.69-1.3 .13 .11 1.3 .90 .36 -1.260 374 330 347 374 38.0 1736.020 7.79 5.29 0.114 -0.013 0.8 0.096 0.114 0.79-1.2 .06 .11 1.2 .70 .37 -1.140 457 386 414 455 38.3 2141.396 9.31 5.28 0.111 -0.015 0.8 0.098 0.098 0.80-1.1 .02 .07 1.1 .71 .31 -1.020 494 418 438 493 30.2 2474.914 9.79 5.28 0.114 -0.025 0.9 0.109 0.081 0.66-.96 .04 .09 .96 .72 .34 -0.900 650 553 578 648 29.8 2561.880 10.04 5.27 0.102 -0.017 0.8 0.095 0.081 0.71-.84 .01 .09 .84 .60 .35 -0.780 790 665 692 789 23.4 3747.199 13.21 5.29 0.085 -0.020 0.9 0.082 0.065 0.63-.72 .01 .06 .72 .67 .32 -0.660 949 784 820 941 21.5 4650.322 15.39 5.29 0.085 -0.016 1.0 0.081 0.065 0.70-.59 .00 .04 .60 .61 .31 -0.540 1094 877 921 1088 18.8 5858.077 17.16 5.26 0.085 -0.034 1.1 0.075 0.063 0.69-.48-.01 .04 .48 .60 .33 -0.420 1577 1180 1228 1575 12.2 8302.500 21.28 5.27 0.068 -0.008 1.1 0.065 0.061 0.76-.36-.04 .01 .36 .52 .28 -0.300 2184 1540 1599 2176 9.2 13369.110 29.02 5.28 0.065 -0.008 1.3 0.055 0.064 0.89-.24-.01-.01 .24 .47 .29 -0.180 3515 2148 2277 3498 5.6 27024.144 45.43 5.37 0.056 -0.002 1.6 0.051 0.053 0.87-.12-.02-.03 .12 .43 .24 -0.060 5238 2547 2791 5206 4.2 33505.227 51.31 5.46 0.045 0.002 1.6 0.044 0.053 0.92 .00-.03-.03 .04 .39 .22 0.060 4063 2326 2519 4042 5.3 23742.266 41.20 5.35 0.047 -0.000 1.4 0.047 0.047 0.79 .12-.07-.04 .12 .43 .24 0.180 2741 1787 1914 2723 7.8 16332.195 32.32 5.28 0.051 0.004 1.2 0.048 0.054 0.86 .24-.14-.06 .24 .48 .25 0.300 1880 1395 1459 1869 10.4 11839.516 26.82 5.27 0.054 0.011 1.1 0.052 0.055 0.82 .36-.18-.07 .36 .54 .29 0.420 1330 1048 1100 1321 15.2 8530.271 22.49 5.27 0.055 0.015 1.0 0.049 0.056 0.80 .48-.19-.06 .48 .57 .31 0.540 998 827 862 994 18.6 5433.293 16.57 5.28 0.067 0.005 0.9 0.062 0.066 0.84 .60-.23-.07 .60 .63 .30 0.660 830 679 719 829 23.6 4488.965 15.04 5.28 0.069 0.018 0.8 0.063 0.069 0.84 .72-.23-.06 .72 .63 .33 0.780 616 520 547 614 25.5 2822.422 10.55 5.30 0.091 0.014 0.8 0.083 0.077 0.77 .84-.22-.08 .84 .62 .33 0.900 477 411 432 474 36.9 1906.885 8.08 5.28 0.094 0.009 0.7 0.088 0.098 0.87 .96-.22-.04 .96 .69 .34 1.020 423 375 392 421 31.4 2086.260 8.69 5.30 0.100 0.006 0.8 0.091 0.101 0.84 1.1-.26-.06 1.1 .73 .32 1.140 369 318 332 368 40.1 1528.969 6.76 5.30 0.119 0.032 0.7 0.114 0.108 0.85 1.2-.27-.06 1.2 .81 .30 1.260 323 292 302 323 42.1 1393.996 6.45 5.28 0.112 0.013 0.7 0.109 0.119 0.93 1.3-.33-.06 1.3 .82 .30 1.380 2773 1313 1456 2748 57.9 913.359 4.81 5.30 0.144 0.008 0.6 0.129 0.127 0.86 2.9-.38-.02 3.7 1.4 .47 1.500 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 770 652 679 767 38.4 5960.858 23.08 5.19 0.091 0.061 1.2 0.060 0.095 1.18 2.2-2.3 .07 4.1 2.7 .41 -1.380 197 183 192 197 29.4 8043.431 25.23 5.23 0.076 0.035 1.2 0.061 0.074 0.99 .59-1.3 .01 1.9 1.3 .32 -1.260 261 241 254 261 29.1 10425.040 30.58 5.28 0.084 0.050 1.4 0.066 0.080 0.98 .53-1.2 .02 1.7 1.2 .35 -1.140 340 296 317 340 24.7 9478.611 27.50 5.24 0.071 0.018 1.2 0.060 0.056 0.76 .28-1.1 .02 1.5 1.1 .36 -1.020 510 423 461 508 21.8 8996.842 25.31 5.25 0.061 0.015 1.1 0.059 0.058 0.76 .24-.96-.04 1.5 .96 .35 -0.900 744 607 657 740 21.9 8928.130 24.79 5.29 0.057 -0.005 1.1 0.054 0.047 0.63 .17-.84-.03 1.4 .84 .33 -0.780 1138 890 959 1135 19.9 8802.983 23.82 5.32 0.063 -0.003 1.1 0.059 0.053 0.70 .16-.72-.02 1.5 .72 .35 -0.660 1619 1150 1234 1614 18.8 9308.933 24.18 5.30 0.056 0.003 1.0 0.055 0.055 0.72 .08-.59-.02 1.2 .60 .34 -0.540 2265 1538 1613 2259 15.5 9611.297 23.13 5.30 0.055 0.008 1.0 0.053 0.058 0.74 .01-.48-.03 1.0 .48 .31 -0.420 2973 1904 2015 2968 17.6 9993.650 23.95 5.28 0.058 0.004 1.0 0.055 0.060 0.79 .03-.36-.02 1.0 .36 .31 -0.300 3225 2060 2170 3214 17.6 9947.604 24.99 5.28 0.059 -0.010 1.0 0.055 0.061 0.86 .00-.24-.00 .93 .24 .32 -0.180 4088 2553 2725 4067 15.6 14188.119 32.37 5.31 0.053 -0.000 1.1 0.050 0.057 0.89 .02-.12-.01 .89 .12 .30 -0.060 6114 3131 3436 6071 11.5 26520.227 47.46 5.47 0.049 0.006 1.5 0.046 0.054 0.91 .00 .00-.01 .74 .04 .27 0.060 4606 2740 2974 4578 13.6 21016.016 40.27 5.39 0.051 -0.001 1.3 0.050 0.047 0.77-.00 .12-.01 .81 .12 .28 0.180 2487 1781 1892 2468 21.1 13035.022 31.57 5.26 0.059 -0.019 1.1 0.056 0.049 0.77 .02 .23-.01 1.1 .24 .29 0.300 1520 1195 1247 1514 31.1 8952.063 26.10 5.27 0.056 -0.018 0.9 0.057 0.052 0.75 .03 .36-.01 1.2 .36 .32 0.420 905 765 791 904 36.2 6925.210 23.27 5.27 0.047 -0.010 0.8 0.048 0.040 0.55-.03 .48 .02 1.3 .48 .31 0.540 610 527 545 602 41.3 6456.361 23.20 5.25 0.062 -0.033 0.9 0.055 0.041 0.54 .09 .59 .03 1.5 .60 .36 0.660 497 436 450 494 40.6 5649.167 21.35 5.26 0.060 -0.025 0.8 0.055 0.050 0.69-.04 .72 .01 1.6 .72 .32 0.780 357 324 340 355 44.0 6580.584 24.62 5.26 0.059 -0.010 0.8 0.050 0.058 0.88 .03 .84 .06 2.0 .84 .37 0.900 292 265 274 290 43.2 6860.927 25.34 5.24 0.061 -0.023 0.8 0.053 0.049 0.68 .02 .96 .03 2.0 .96 .43 1.020 225 213 217 223 32.0 11308.125 37.42 5.22 0.063 -0.051 1.0 0.051 0.066 0.97 .02 1.1 .01 1.8 1.1 .31 1.140 184 173 179 181 38.0 11798.674 36.52 5.25 0.048 -0.017 1.0 0.045 0.046 0.65-.13 1.2 .06 1.7 1.2 .38 1.260 142 134 139 141 34.5 11124.713 37.64 5.18 0.045 -0.024 1.0 0.031 0.066 1.00 .04 1.3 .01 2.0 1.3 .41 1.380 774 623 630 770 39.4 7737.738 27.23 5.24 0.050 -0.010 0.9 0.050 0.050 0.68 .03 2.1-.07 3.1 2.2 .37 1.500 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 37 30 35 37 24.3 4378.390 18.18 5.28 0.165 0.121 1.8 0.155 0.163 0.39 1.2-.18-1.7 2.5 .80 1.7 -1.380 13 13 13 13 15.4 4622.345 17.97 5.30 0.079 0.064 1.1 0.064 0.086 1.23-.13 .21-1.3 .68 .82 1.3 -1.260 36 32 34 36 16.7 4531.037 17.15 5.37 0.063 0.019 0.9 0.066 0.084 0.90 .17 .02-1.2 1.7 .85 1.2 -1.140 41 35 39 41 24.4 6424.731 22.27 5.39 0.081 0.067 1.2 0.093 0.073 0.72 .79-.32-1.1 3.5 1.4 1.1 -1.020 92 80 89 91 15.2 6701.722 19.30 5.35 0.078 0.061 1.2 0.072 0.058 0.72 .77-.33-.94 3.1 1.4 .94 -0.900 154 142 149 153 17.5 7775.750 21.28 5.34 0.080 0.015 1.3 0.071 0.066 0.82 .65-.09-.83 2.9 1.1 .83 -0.780 272 245 258 272 17.3 10742.177 25.02 5.33 0.075 0.027 1.3 0.067 0.063 0.81 1.2-.20-.72 3.9 1.2 .72 -0.660 500 429 467 497 17.8 11993.587 24.88 5.32 0.066 0.025 1.3 0.057 0.059 0.84 .66-.15-.59 2.6 .85 .59 -0.540 907 748 785 899 25.2 13035.516 27.50 5.28 0.070 0.023 1.2 0.064 0.057 0.76 .73-.15-.47 2.2 .82 .48 -0.420 2069 1558 1630 2063 25.1 16495.731 35.42 5.31 0.056 0.011 1.2 0.048 0.055 0.91 .52-.05-.35 1.7 .76 .35 -0.300 4186 2521 2688 4175 18.3 13353.906 30.54 5.28 0.054 0.005 1.1 0.052 0.050 0.74 .33-.05-.23 1.2 .65 .23 -0.180 7151 3405 3666 7126 13.5 13474.909 31.05 5.29 0.053 -0.000 1.1 0.048 0.057 0.90 .12-.06-.11 .86 .54 .12 -0.060 9843 3839 4234 9789 11.8 18109.965 38.89 5.38 0.050 -0.004 1.2 0.049 0.054 0.87-.06-.06-.00 .79 .49 .03 0.060 5062 2837 3031 5034 16.8 15125.176 34.87 5.33 0.054 -0.003 1.3 0.051 0.056 0.89-.05-.14 .11 .94 .63 .12 0.180 2739 1901 2034 2710 26.8 15229.390 37.67 5.30 0.057 0.000 1.2 0.055 0.050 0.76-.08-.15 .23 1.3 .74 .23 0.300 1298 1000 1046 1292 40.8 8709.908 26.50 5.29 0.049 0.001 0.8 0.058 0.049 0.72-.08-.13 .35 1.5 .86 .35 0.420 709 588 605 706 47.5 4199.810 14.97 5.28 0.080 -0.023 0.7 0.076 0.059 0.75-.27-.13 .47 1.8 .95 .47 0.540 531 460 477 530 45.0 3802.296 13.22 5.31 0.088 -0.046 0.8 0.079 0.068 0.75-.47-.16 .59 1.9 1.1 .60 0.660 350 306 318 350 50.3 2934.699 11.48 5.39 0.094 -0.046 0.8 0.086 0.082 0.83-.71-.22 .72 2.0 1.1 .72 0.780 229 197 215 228 62.9 1519.015 7.37 5.37 0.107 -0.034 0.6 0.107 0.080 0.67-1.2-.14 .84 2.4 .99 .84 0.900 183 156 170 182 62.3 1740.388 8.49 5.32 0.099 -0.032 0.7 0.093 0.090 0.70-.59-.15 .96 2.1 1.2 .96 1.020 156 138 149 155 64.1 1478.452 7.85 5.33 0.078 -0.026 0.5 0.072 0.072 0.75-.04-.15 1.1 2.1 .53 1.1 1.140 96 84 94 96 62.5 1385.574 7.53 5.34 0.113 -0.075 0.6 0.079 0.135 1.17 .06-.15 1.2 2.3 .56 1.2 1.260 74 64 72 73 74.3 1256.899 7.28 5.30 0.148 -0.125 0.8 0.125 0.119 0.81 .43-.13 1.3 2.9 .82 1.3 1.380 115 93 106 113 81.7 365.608 2.88 5.37 0.192 -0.079 0.5 0.179 0.232 0.91 1.8-.06 1.7 3.8 .96 1.7 1.500 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 182 0 182 0 33.5 88439.125 88.46 6.12 0.000 0.000 0.0 0.000 0.000 0.00 .83 .06 .03 3.0 .63 .32 1.000 836 203 418 836 18.2 32602.508 68.50 6.14 0.031 0.000 1.4 0.000 0.065 0.00 .42-.07 .01 1.8 .51 .37 2.000 1473 308 491 1473 21.7 25185.442 56.02 5.63 0.045 -0.000 1.3 0.033 0.086 1.85 .17-.07-.01 1.5 .60 .35 3.000 2176 420 544 2176 20.8 20854.544 46.22 5.42 0.042 0.000 1.2 0.033 0.063 1.42 .15-.10-.00 1.6 .63 .34 4.000 3005 574 601 3005 16.1 18506.254 42.73 5.36 0.046 -0.000 1.3 0.042 0.048 0.87 .10-.08-.01 1.4 .64 .31 5.000 3798 631 633 3798 21.0 13395.926 33.32 5.33 0.050 0.000 1.1 0.045 0.048 0.79 .15-.08-.01 1.5 .70 .31 6.000 3801 541 543 3801 18.7 15641.824 35.71 5.30 0.055 -0.000 1.2 0.049 0.055 0.83 .09-.11-.01 1.3 .68 .31 7.000 4176 522 522 4176 18.7 13955.162 33.55 5.35 0.056 0.000 1.2 0.052 0.039 0.57 .06-.10-.01 1.2 .64 .30 8.000 3222 358 358 3222 18.7 10797.475 27.44 5.31 0.059 -0.000 1.1 0.056 0.041 0.57 .08-.12-.02 1.2 .71 .31 9.000 14174 1086 1086 14174 20.6 9861.811 23.30 5.21 0.067 0.000 1.1 0.062 0.055 0.68 .00-.08-.01 1.1 .67 .30 10.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 36843 4643 5378 36661 19.8 14239.350 33.37 5.32 0.054 -0.000 1.1 0.051 0.057 0.92 .08-.09-.01 1.3 .66 .31 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 marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 2334 369 580 2275 9.1 67129.631 93.18 6.31 0.037 -0.000 2.1 0.035 0.053 1.19 .03 .04-.01 .32 .28 .18 1.715 2770 490 549 2744 12.1 18354.929 40.49 5.29 0.045 -0.000 1.3 0.042 0.047 0.83 .02 .06-.00 .40 .45 .20 1.361 2666 465 543 2633 15.4 21915.568 42.23 5.17 0.052 0.000 1.3 0.049 0.056 0.93-.01 .04-.01 .54 .61 .21 1.189 3588 466 538 3561 19.8 17216.822 32.81 5.02 0.063 -0.000 1.2 0.061 0.060 0.79-.08-.01-.01 .76 .59 .25 1.080 6113 538 539 6113 18.6 13305.968 25.99 5.03 0.059 0.000 1.1 0.055 0.047 0.67 .04-.08-.02 .80 .57 .27 1.003 5064 510 531 5064 20.4 8453.676 20.09 5.17 0.065 -0.000 1.0 0.059 0.062 0.86-.03-.10-.02 1.0 .62 .29 0.944 4596 511 539 4596 24.2 6088.029 16.96 5.46 0.068 -0.000 0.9 0.062 0.069 0.89 .01-.12-.01 1.2 .72 .33 0.897 4033 490 536 4031 26.2 4917.127 15.93 5.58 0.073 0.000 0.9 0.067 0.071 0.83 .08-.17 .00 1.3 .74 .36 0.858 3438 443 522 3432 23.9 4444.104 17.52 5.40 0.073 0.000 1.0 0.067 0.079 0.93 .10-.23 .01 1.6 .76 .40 0.825 2241 361 501 2212 20.6 4309.161 19.72 5.28 0.094 0.000 1.3 0.085 0.104 0.88 1.0-.27 .00 3.4 1.1 .51 0.796 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 25090 3219 3686 24973 29.0 2172.138 8.51 5.31 0.092 -0.008 0.7 0.085 0.085 0.80 .10-.09 .01 1.6 .72 .34 8667.969 4847 784 895 4826 0.0 12434.586 23.40 5.28 0.060 -0.003 1.4 0.056 0.060 0.80 .02-.12-.06 .40 .54 .26 17335.938 3522 563 630 3514 0.0 24346.332 34.12 5.30 0.054 -0.000 1.9 0.052 0.056 0.80 .03-.09-.06 .36 .52 .24 34671.875 1945 335 389 1935 0.0 47687.954 50.01 5.39 0.051 0.002 2.5 0.049 0.047 0.77 .02-.04-.06 .24 .50 .23 69343.750 993 156 198 982 0.0 95924.411 74.43 5.53 0.045 -0.000 3.3 0.042 0.051 0.93 .04-.01-.04 .17 .40 .18 138687.500 277 63 76 273 0.0 191740.16 112.51 5.89 0.043 0.002 4.9 0.043 0.048 0.74 .04 .00-.04 .16 .33 .18 277375.000 134 30 40 131 0.0 356387.57 163.30 6.56 0.043 0.006 6.8 0.040 0.057 1.09 .01 .04-.02 .11 .26 .18 554750.000 28 6 12 24 0.0 739008.50 119.97 8.09 0.039 0.003 6.2 0.033 0.080 2.08-.01-.02 .00 .12 .12 .17 1109500.0 6 1 4 3 0.0 1683166.7 85.12 9.72 0.055 0.000 7.3 0.026 0.121 3.20-.02-.03-.06 .09 .09 .11 2219000.0 1 0 1 0 0.0 4438000.0 118.49 10.67 0.000 0.000 0.0 0.000 0.000 0.00-.10-.01 .19 .10 .01 .19 4438000.0 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6803 1054 1207 6744100.0 92.885 0.57 5.31 0.545 -0.165 0.4 0.512 0.463 0.75 .15-.03 .11 2.4 .92 .45 1.760 2351 666 724 2340 20.5 453.029 2.41 5.28 0.205 -0.002 0.5 0.191 0.187 0.73 .11-.06 .03 1.7 .84 .33 3.096 3454 777 834 3449 0.0 969.296 4.29 5.26 0.149 -0.027 0.7 0.139 0.135 0.72 .12-.10-.01 1.3 .61 .28 5.447 5054 1025 1125 5041 0.0 2142.699 7.50 5.30 0.108 -0.004 0.8 0.101 0.093 0.73 .09-.12-.02 .93 .56 .28 9.584 5811 1198 1316 5795 0.0 4904.612 13.17 5.30 0.074 -0.008 0.9 0.067 0.072 0.79 .06-.15-.06 .68 .56 .27 16.864 6674 1314 1445 6656 0.0 12111.176 22.96 5.26 0.062 -0.004 1.4 0.057 0.061 0.82 .03-.13-.06 .48 .55 .26 29.672 4375 971 1098 4350 0.0 29612.850 39.19 5.32 0.053 0.003 2.0 0.050 0.051 0.80 .03-.08-.05 .40 .59 .24 52.208 1725 422 509 1707 0.0 76790.592 67.22 5.58 0.049 0.001 3.1 0.046 0.053 0.94 .02-.01-.03 .29 .56 .20 91.861 473 130 178 466 0.0 194592.05 122.22 6.31 0.038 0.004 4.3 0.037 0.049 0.91 .03 .04-.02 .15 .31 .16 161.630 123 38 68 113 0.0 368728.02 191.18 7.44 0.041 -0.002 7.2 0.034 0.066 1.53 .02 .03-.03 .14 .25 .17 284.389 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8139 3253 3528 8139 3.0 23910.507 42.83 5.39 0.015 0.001 0.4 0.022 0.050 0.89 .05-.08-.04 .67 .56 .25 0.030 6702 3025 3232 6702 3.6 21471.267 39.51 5.33 0.043 0.005 1.1 0.040 0.051 0.84 .06-.09-.04 .76 .57 .26 0.060 5106 2698 2865 5106 4.8 17455.927 35.00 5.31 0.073 0.006 1.6 0.063 0.060 0.92 .06-.11-.04 .89 .60 .28 0.090 3518 2178 2303 3518 6.6 12215.960 28.09 5.29 0.104 0.006 1.8 0.086 0.066 0.88 .07-.14-.03 .98 .64 .29 0.120 2263 1607 1685 2263 10.9 7748.774 21.04 5.29 0.133 -0.011 1.8 0.109 0.069 0.79 .08-.14-.03 1.1 .64 .30 0.150 1631 1226 1277 1631 14.3 5192.018 16.41 5.29 0.163 -0.026 1.6 0.132 0.087 0.84 .11-.12-.01 1.3 .62 .33 0.180 1206 905 944 1206 19.8 3678.769 12.99 5.28 0.192 -0.064 1.5 0.165 0.090 0.75 .06-.12-.01 1.4 .69 .33 0.210 860 697 741 860 26.2 2228.595 8.73 5.28 0.224 -0.051 1.3 0.191 0.097 0.70 .13-.13 .01 1.8 .95 .33 0.240 671 552 577 671 34.0 1751.859 7.41 5.27 0.255 -0.076 1.3 0.217 0.144 0.88 .16-.08 .03 1.7 .66 .36 0.270 532 449 465 532 39.7 1686.900 7.31 5.30 0.282 -0.127 1.3 0.251 0.108 0.61 .10-.10 .05 1.8 .78 .35 0.300 438 381 397 438 41.3 2077.839 9.06 5.28 0.314 -0.157 1.4 0.279 0.120 0.64 .05-.04 .05 1.5 .62 .36 0.330 382 347 358 382 45.0 1458.653 6.63 5.28 0.342 -0.242 1.3 0.271 0.206 0.87-.01-.10 .07 1.6 .90 .36 0.360 333 286 301 333 58.6 1176.816 5.77 5.30 0.372 -0.265 1.1 0.334 0.139 0.63 .17-.08 .05 1.8 .00 .33 0.390 274 247 258 274 63.1 2356.481 11.05 5.34 0.401 0.073 1.3 0.299 0.291 1.13 .30-.09 .05 2.5 .00 .36 0.420 241 209 222 241 67.2 685.592 3.59 5.28 0.436 -0.304 0.9 0.375 0.194 0.73 .12-.04 .05 1.9 .69 .38 0.450 190 173 177 190 65.3 642.606 3.43 5.25 0.466 -0.230 1.1 0.409 0.278 0.56 .13-.00 .08 2.2 .86 .43 0.480 211 196 203 211 76.3 758.112 4.05 5.27 0.492 -0.346 1.0 0.455 0.236 0.83 .27-.06 .10 2.1 .86 .42 0.510 174 158 164 174 72.4 479.376 2.58 5.25 0.525 -0.304 1.0 0.483 0.187 0.48-.08-.05 .06 2.2 .68 .43 0.540 166 147 156 166 76.5 435.204 2.39 5.22 0.554 -0.311 1.0 0.502 0.226 0.62 .29-.02 .08 2.8 .88 .43 0.570 3624 1026 1092 3624 95.3 102.963 0.63 5.29 0.958 -0.716 0.7 0.839 0.376 0.65 .12-.00 .12 2.4 .90 .47 0.600 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_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 2835 1178 1255 2835 90.5 195.498 1.18 5.29 0.777 -0.990 0.9 0.689 0.305 0.66 .13 .02 .14 2.5 .91 .48 -0.460 155 138 148 155 52.3 1062.595 5.19 5.29 0.439 -0.443 1.4 0.377 0.191 0.74-.17-.06 .05 1.7 .67 .34 -0.420 177 163 171 177 46.3 1679.674 7.94 5.33 0.401 -0.403 1.5 0.293 0.316 1.13-.10-.08 .06 1.5 .62 .34 -0.380 303 272 282 303 40.3 1778.973 7.72 5.30 0.360 -0.361 1.5 0.322 0.121 0.62-.10-.04 .08 1.5 .69 .38 -0.340 312 278 291 312 32.1 2943.270 11.80 5.26 0.320 -0.320 1.8 0.266 0.163 0.81-.05-.04 .04 1.4 .63 .37 -0.300 407 367 379 407 31.7 2045.214 8.53 5.28 0.278 -0.278 1.5 0.240 0.128 0.73 .09-.13 .05 1.7 .74 .34 -0.260 513 439 465 513 24.2 2603.488 9.89 5.27 0.239 -0.239 1.6 0.209 0.108 0.74-.08-.09 .06 1.3 .62 .34 -0.220 803 678 707 803 20.2 4210.040 14.40 5.25 0.195 -0.195 1.7 0.167 0.097 0.80-.07-.08 .04 1.3 .76 .33 -0.180 1166 991 1021 1166 11.9 6208.093 18.20 5.26 0.158 -0.158 1.8 0.131 0.088 0.82 .03-.09 .01 1.2 .62 .31 -0.140 1810 1433 1515 1810 8.5 10437.595 25.21 5.26 0.117 -0.117 1.9 0.100 0.068 0.77-.03-.07-.01 .92 .52 .28 -0.100 2891 1996 2117 2891 5.3 16814.958 34.74 5.28 0.078 -0.078 1.6 0.066 0.064 0.94 .03-.08-.01 .87 .64 .27 -0.060 4256 2432 2626 4256 3.5 22060.272 41.06 5.34 0.037 -0.037 1.0 0.034 0.053 0.88 .04-.06-.03 .75 .59 .24 -0.020 5606 2779 2987 5606 3.0 23690.013 42.37 5.38 0.010 0.001 0.3 0.020 0.049 0.88 .05-.08-.04 .68 .55 .25 0.020 4979 2702 2909 4979 3.4 22456.983 40.44 5.36 0.038 0.038 1.0 0.038 0.045 0.76 .06-.12-.05 .70 .56 .26 0.060 3523 2297 2431 3523 5.1 16112.826 32.74 5.33 0.075 0.075 1.6 0.065 0.056 0.89 .11-.14-.07 .94 .59 .29 0.100 1990 1496 1571 1990 7.6 10804.360 26.79 5.32 0.115 0.115 1.8 0.093 0.066 0.91 .13-.19-.05 1.1 .70 .30 0.140 1138 914 961 1138 15.6 4481.966 14.87 5.31 0.157 0.157 1.5 0.126 0.079 0.83 .18-.18-.04 1.3 .68 .35 0.180 728 582 605 728 22.9 2468.656 9.52 5.31 0.196 0.196 1.2 0.168 0.096 0.80 .18-.13-.05 1.5 .75 .34 0.220 483 417 440 483 34.6 1405.714 6.09 5.29 0.237 0.237 1.0 0.200 0.116 0.66 .40-.16-.02 2.2 1.0 .34 0.260 335 289 301 335 46.0 1197.974 5.34 5.30 0.277 0.277 1.0 0.254 0.126 0.73 .25-.06 .01 1.9 .78 .37 0.300 248 225 234 248 55.6 1011.586 5.01 5.30 0.315 0.315 0.9 0.273 0.136 0.64 .26-.12 .06 1.7 1.0 .32 0.340 192 166 176 192 64.6 523.399 2.78 5.30 0.358 0.359 0.8 0.315 0.180 0.70 .17-.08 .06 1.7 .69 .34 0.380 195 174 180 195 79.5 2045.421 10.10 5.30 0.399 0.399 0.8 0.310 0.174 1.19 .64-.12 .03 3.0 1.4 .36 0.420 144 129 133 144 81.9 236.513 1.32 5.24 0.438 0.441 0.6 0.378 0.243 0.67 .35 .03 .06 2.0 .69 .43 0.460 1472 589 629 1472 94.4 151.549 0.91 5.28 0.702 0.707 0.6 0.625 0.335 0.76 .12-.06 .08 2.3 .85 .43 0.500 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_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 23349 4409 4836 23349 29.3 6239.130 19.28 5.30 0.023 0.001 0.4 0.031 0.054 0.89 .09-.08 .01 1.5 .70 .33 1.000 7718 3144 3368 7718 4.6 14233.527 29.99 5.32 0.048 0.004 1.4 0.046 0.049 0.78 .06-.11-.04 .90 .59 .27 2.000 2831 1633 1736 2831 0.6 26149.719 41.14 5.34 0.060 0.005 2.4 0.056 0.050 0.80 .03-.12-.05 .69 .56 .27 3.000 1218 825 877 1218 0.2 40449.708 52.46 5.36 0.066 0.002 3.4 0.058 0.050 0.81 .02-.08-.05 .61 .58 .27 4.000 605 454 486 605 0.2 54752.006 64.86 5.48 0.069 -0.006 4.5 0.065 0.051 0.84-.01-.11-.04 .50 .57 .27 5.000 318 253 274 318 0.0 76595.894 74.18 5.52 0.074 -0.012 5.4 0.068 0.060 0.93-.04-.15-.03 .62 .59 .27 6.000 214 176 188 214 0.0 85267.940 81.34 5.54 0.079 0.002 6.5 0.067 0.066 0.95 .06-.03-.04 .80 .52 .27 7.000 136 118 123 136 0.0 102719.41 87.64 5.63 0.085 -0.003 7.5 0.076 0.056 0.81-.08-.11-.04 .64 .58 .28 8.000 69 66 68 69 0.0 101408.66 86.52 5.54 0.098 -0.009 8.5 0.091 0.050 0.62-.03-.06-.08 .78 1.2 .34 9.000 58 55 57 58 0.0 97243.481 88.70 5.31 0.106 -0.037 9.4 0.092 0.056 0.82-.02-.11-.02 1.1 .96 .27 10.000 41 39 41 41 2.4 127697.63 105.36 5.34 0.100 -0.002 10.5 0.084 0.067 0.99 .05-.24-.07 .78 .94 .27 11.000 33 26 30 33 0.0 152556.81 111.56 5.86 0.103 -0.027 11.5 0.085 0.085 1.12-.06 .05-.04 .46 .56 .27 12.000 13 11 13 13 0.0 157418.74 139.31 5.65 0.090 -0.035 12.5 0.068 0.092 1.78-.05-.10 .02 .52 .79 .16 13.000 10 9 10 10 0.0 146766.64 106.64 5.58 0.128 -0.010 13.6 0.125 0.041 0.45-.36 .01-.05 .98 .26 .12 14.000 13 10 12 13 0.0 184689.42 128.59 5.76 0.113 0.018 14.6 0.103 0.073 1.50 .41-.01-.03 1.5 .42 .18 15.000 7 7 7 7 0.0 522897.71 163.01 6.12 0.094 0.059 15.5 0.054 0.111 2.45 .07-.42 .05 .20 .72 .22 16.000 8 8 8 8 12.5 281796.26 178.83 5.90 0.092 -0.036 16.4 0.082 0.066 1.02-.27-.15-.17 .53 .41 .25 17.000 6 5 6 6 0.0 272525.02 147.12 6.72 0.119 -0.037 17.6 0.079 0.092 1.16-.68-.14-.03 1.2 .33 .12 18.000 3 3 3 3 0.0 520544.37 192.66 5.99 0.096 -0.070 18.5 0.050 0.132 2.31-.09-.09-.10 .16 .19 .19 19.000 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 20.000 2 1 2 2 0.0 138001.00 96.88 5.83 0.214 -0.107 20.6 0.176 0.378 1.45-.01 .03 .11 .08 .03 .11 21.000 3 1 3 3 0.0 255539.47 181.20 5.42 0.120 0.085 21.7 0.075 0.073 1.43 1.2-.43-.13 1.8 .50 .18 22.000 2 2 2 2 0.0 106086.50 59.11 4.85 0.387 -0.387 22.9 0.287 0.240 1.02-.05-.15-.09 .07 .27 .15 23.000 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 24.000 4 3 4 4 0.0 201706.03 96.61 5.29 0.300 -0.011 31.5 0.257 0.081 0.69-.19-.18-.16 .20 .26 .27 25.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 36843 4643 5378 36661 19.8 14239.350 33.37 5.32 0.054 -0.000 1.1 0.051 0.057 0.92 .08-.09-.01 1.3 .66 .31 1.000 Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1862 359 530 1747 51.8 25084.100 54.74 5.45 0.045 -0.000 1.0 0.039 0.073 1.62 .09 .01 .04 1.7 .75 .37 1.000 Coverage Statistics Integration of marc004 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc004_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.715 580 583 99.49 4.02 0.037 369 63.29 0.037 93.18 9.1 to 1.361 1129 1137 99.30 4.52 0.039 859 75.55 0.045 40.49 12.1 to 1.189 1672 1682 99.41 4.65 0.042 1324 78.72 0.052 42.23 15.4 to 1.080 2210 2222 99.46 5.14 0.046 1790 80.56 0.063 32.81 19.8 to 1.003 2749 2761 99.57 6.36 0.049 2328 84.32 0.059 25.99 18.6 to 0.944 3280 3292 99.64 6.87 0.051 2838 86.21 0.065 20.09 20.4 to 0.897 3819 3831 99.69 7.10 0.052 3349 87.42 0.068 16.96 24.2 to 0.858 4355 4368 99.70 7.16 0.052 3839 87.89 0.073 15.93 26.2 to 0.825 4877 4893 99.67 7.09 0.053 4282 87.51 0.073 17.52 23.9 to 0.796 5378 5431 99.02 6.85 0.054 4643 85.49 0.094 19.72 20.6 Local LS refinement averages ============== 01/13/2020 10:03:05 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: 44 Averaged orientation ('UB') matrix: 0.0489558 0.0017018 -0.0098943 -0.0025613 -0.0839053 -0.0139830 -0.0107919 0.0276329 -0.0418491 Weighted average cell constants: A B C Alpha Beta Gamma Vol 19.9143 11.3148 22.1118 90.000 90.072 90.000 4982.37 0.0003 0.0002 0.0004 0.000 0.001 0.000 0.22 Std deviations of the 44 input local LS results: 0.0170 0.0090 0.0215 0.000 0.056 0.000 10.43 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 11.0606 0.7976 7.993 150.293 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 -0.2123 -0.0259 -0.0549 -0.2443 -0.0561 -0.9119 Unconstrained global unit cell refinement ============== 01/13/2020 10:03:05 Performing final unit cell least squares on file /smb/isengard/data/marc004/work/cu_marc004_01._ma Input file contains 18873 reflections Refinement includes 1 sample Sample 1 contains component 1 Maximum allowed reflections = 9999 1 reflection will be stored in memory per 2 reflections 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 (9437 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 1.500 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, 0.0000058 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) 9437 116 9321 11.0489 0.7971 8.002 150.558 Orientation ('UB') matrix: 0.0490019 0.0017215 -0.0099760 -0.0025452 -0.0839523 -0.0139656 -0.0108069 0.0275866 -0.0418726 A B C Alpha Beta Gamma Vol 19.90292 11.31409 22.09776 90.0021 89.9802 89.9988 4976.05 0.00013 0.00008 0.00015 0.0003 0.0003 0.0002 0.05 Corrected for goodness of fit: 0.00080 0.00046 0.00092 0.0018 0.0016 0.0015 0.28 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 144.501 157.725 -145.428 Goniometer zeros (deg): 0.0000* 0.0251 0.0000* -0.0608 (*=never refined) Crystal translations (pixels): -0.3633 -0.0210 -0.0340 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.0510 -0.2272 -0.0591 -0.2512 -0.0748 -0.9260 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.56419e+06 8.50047e+05 6.08 2 0 2 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 9321 9321 4345 Average input ESD (pix, pix, deg): 0.24614 0.15568 0.19996 Goodness of fit: 3.86673 8.45093 3.21797 Highest-magnitude correlations: 1 -0.91496 EuPhi1 / EuOmega1 2 0.65717 EuChi1 / Alpha1 3 0.65020 Z-Translation1 / Y-Center1 4 0.56571 Chi Zero1 / C1 5 0.53133 Chi Zero1 / Alpha1 6 0.51522 Yaw1 / X-Center1 7 -0.48900 EuOmega1 / Beta1 New orientation is in /smb/isengard/data/marc004/work/cu_marc004_0u.p4p Constrained global unit cell refinement ================= 01/13/2020 10:03:06 Performing final unit cell least squares on file /smb/isengard/data/marc004/work/cu_marc004_01._ma Input file contains 18873 reflections Refinement includes 1 sample Sample 1 contains component 1 Maximum allowed reflections = 9999 1 reflection will be stored in memory per 2 reflections 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 (9437 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 1.500 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, 0.0000058 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) 9437 116 9321 11.0488 0.7971 8.002 150.560 Orientation ('UB') matrix: 0.0490015 0.0017226 -0.0099760 -0.0025458 -0.0839515 -0.0139649 -0.0108068 0.0275878 -0.0418732 A B C Alpha Beta Gamma Vol 19.90303 11.31414 22.09758 90.0000 89.9805 90.0000 4976.06 0.00013 0.00007 0.00015 0.0000 0.0003 0.0000 0.05 Corrected for goodness of fit: 0.00079 0.00045 0.00090 0.0000 0.0016 0.0000 0.28 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 144.502 157.724 -145.430 Goniometer zeros (deg): 0.0000* 0.0254 0.0000* -0.0617 (*=never refined) Crystal translations (pixels): -0.3646 -0.0224 -0.0354 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.0526 -0.2259 -0.0591 -0.2508 -0.0748 -0.9263 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.75609e+05 8.50131e+05 6.08 3 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 9321 9321 4345 Average input ESD (pix, pix, deg): 0.24614 0.15568 0.19996 Goodness of fit: 3.86553 8.45211 3.21739 Highest-magnitude correlations: 1 -0.92894 EuPhi1 / EuOmega1 2 0.64817 Z-Translation1 / Y-Center1 3 -0.57653 EuOmega1 / Beta1 4 0.55459 EuPhi1 / Beta1 5 0.52116 Yaw1 / X-Center1 6 0.48356 Chi Zero1 / C1 New orientation is in /smb/isengard/data/marc004/work/cu_marc004_0m.p4p End global unit cell refinement ========================= 01/13/2020 10:03:07