SAINT V8.34A saint afEHfW.slm /BATCH /CONFIG:afEHfW.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 3 Total topped/rescanned pixels: 29 Minimum pixel ceiling(frame): 8716800(mo_marc003_01_0001.sfrm) Maximum pixel ceiling(frame): 8716800(mo_marc003_01_0001.sfrm) Total spots predicted: 28495 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 3* Spots outside active detector area: 2279* Outside frame limits: 568* Spots exceeding frame queue size: 7* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 0* Spots with too many spot components: 0* Spots with large Lorentz factor: 14* 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: 25610 Total spot components written: 25610 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 25610 Twin overlaps written: 0 Average Intensity: 575.4759 Average I/sigma: 8.2948 % over "strong" threshold: 12.12 % less than 2 sigma: 58.94 % which spanned more than 1 frame: 38.40 Average X,Y,Z positional errors: 0.06 0.01 0.00 RMS X,Y,Z positional errors: 0.65 0.50 0.16 % X,Y,Z more than 0.5 pixel: 33.19 24.64 0.93 % X,Y,Z more than 1.0 pixel: 12.09 6.10 0.01 Avg % profile volume populated: 98.96 Avg % profile volume integrated: 20.16 Avg % profile missing I: 0.91 Avg % profile missing volume: 1.04 Avg % volume overlap in H,K,L: 0.00 0.00 0.01 Percent of profile used in X,Y,Z: 77.78 88.89 77.78 Max % intensity on XYZ boundaries: 0.97 1.08 1.40 Average spot-shape correlation: 0.588 RMS spot-shape correlation: 0.723 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.351 0.309 10630 1.0 2.0 0.741 0.128 4464 2.0 4.0 0.915 0.055 4001 4.0 8.0 0.971 0.017 2523 8.0 16.0 0.984 0.015 2227 16.0 32.0 0.987 0.025 1141 32.0 64.0 0.987 0.023 456 64.0 128.0 0.987 0.010 154 128.0 256.0 0.982 0.015 14 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: 25610 LS-fit intensities scaled: 21618 Full overlaps included in above: 0 Rejected due to poor spot shape: 7 Unwritable (I, sigma too large): 0 Number written: 25603 Sorting Reflection File ============================== 08/17/2015 14:33:14 Integration of marc003 Merging input files 1 mo_marc003_01.raw 2 mo_marc003_02.raw 3 mo_marc003_03.raw Merging to output file: mo_marc003_0m.raw 9486 spot components in 9486 spots read from file 1--/home/isengard/data/marc003/work/mo_marc003_01.raw 9460 spot components in 9460 spots read from file 2--/home/isengard/data/marc003/work/mo_marc003_02.raw 6657 spot components in 6657 spots read from file 3--/home/isengard/data/marc003/work/mo_marc003_03.raw 25603 spot components in 25603 spots written to file /home/isengard/data/marc003/work/mo_marc003_0m.raw Computing Reflection File Statistics ========== 08/17/2015 14:33:15 Integration of marc003 ................................................................................... Statistics for reflections in mo_marc003_0m.raw File is in BrukerAXS area detector ASCII format Number of lines read (incl comments) = 25603 Number of reflection records read = 25603 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 25603 Number of spot components used = 25603 ................................................................................... Integration of marc003 Statistics for sample 1 of 1 in mo_marc003_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 17.351 6.969 21.213 90.000 104.024 90.000 2/mB Monoclinic B-uniq Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 93 50 84 85 82.8 68.705 1.08 2.09 0.328 -0.062 0.4 0.257 0.491 1.16-.17-.04-.03 .99 .50 .23 32.000 1700 685 938 1612 89.8 66.418 0.89 2.11 0.319 -0.005 0.3 0.315 0.456 1.05 .01 .03 .01 .93 .58 .17 64.000 2618 1215 1488 2527 90.6 68.166 0.94 2.12 0.304 -0.003 0.3 0.295 0.427 1.09 .10 .03 .00 .87 .60 .18 96.000 2839 1406 1596 2787 86.2 81.497 1.18 2.14 0.258 -0.004 0.3 0.244 0.359 1.06 .10 .00 .01 .81 .61 .17 128.000 2777 1453 1575 2734 77.1 124.841 1.82 2.18 0.189 -0.007 0.3 0.175 0.243 1.02 .10 .00 .00 .75 .57 .16 160.000 2709 1459 1535 2682 61.2 237.078 3.20 2.22 0.121 -0.005 0.4 0.111 0.154 1.06 .11 .01-.00 .64 .53 .16 192.000 2553 1414 1455 2541 50.1 359.816 4.69 2.26 0.090 -0.016 0.4 0.082 0.109 0.96 .07-.01 .00 .57 .46 .15 224.000 2304 1296 1303 2301 46.3 392.733 5.49 2.28 0.083 -0.005 0.4 0.076 0.091 0.94 .10 .01 .00 .52 .45 .14 256.000 2046 1176 1186 2046 39.3 555.932 7.82 2.31 0.063 -0.003 0.4 0.058 0.069 0.91-.00-.00 .00 .45 .41 .14 288.000 1693 990 997 1693 33.3 918.855 12.28 2.36 0.045 -0.001 0.5 0.041 0.049 0.84-.01-.00-.00 .38 .37 .15 320.000 1403 836 839 1403 29.8 1242.404 16.88 2.41 0.037 0.001 0.5 0.035 0.037 0.77 .01-.01-.01 .36 .33 .15 352.000 1042 661 661 1042 26.5 2134.349 28.33 2.49 0.029 0.005 0.6 0.027 0.033 0.87-.01 .02-.01 .35 .33 .16 384.000 756 527 527 756 27.0 2783.862 38.32 2.56 0.029 0.001 0.7 0.027 0.031 0.81 .02 .01 .01 .34 .31 .17 416.000 466 372 372 466 22.3 2547.863 35.95 2.51 0.037 -0.001 10.7 0.036 0.031 0.66 .01 .04 .01 .36 .33 .18 448.000 286 196 196 286 28.7 2608.320 32.54 2.42 0.053 0.022 12.9 0.049 0.034 0.70 .02 .00-.02 .41 .40 .16 480.000 318 256 256 318 24.2 2645.888 36.87 2.49 0.039 0.002 0.9 0.034 0.025 0.66-.13-.00-.03 .58 .32 .17 512.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 796 746 773 796 57.5 274.366 4.31 2.14 0.110 0.045 0.5 0.099 0.117 0.90 .02 .10 .03 .56 .71 .21 32.000 1067 971 1004 1067 59.8 301.650 4.73 2.16 0.096 0.038 0.4 0.086 0.110 0.96 .02-.04 .01 .58 .60 .22 64.000 1220 1072 1130 1218 58.9 362.937 5.47 2.19 0.082 0.028 0.4 0.071 0.091 0.89 .04 .01 .01 .61 .55 .20 96.000 1361 1173 1249 1359 56.1 505.236 7.11 2.22 0.067 0.016 0.4 0.060 0.070 0.91 .06 .02 .01 .61 .51 .17 128.000 1504 1257 1349 1499 56.6 533.666 7.42 2.25 0.063 0.005 0.4 0.055 0.063 0.83 .07 .01 .01 .63 .45 .15 160.000 1633 1340 1448 1625 57.5 708.186 9.76 2.29 0.055 -0.005 0.4 0.044 0.060 0.97 .06 .02 .00 .65 .45 .14 192.000 1815 1476 1605 1789 58.3 812.438 11.07 2.31 0.052 -0.004 0.5 0.043 0.053 0.83 .11-.01-.01 .65 .43 .14 224.000 1896 1549 1693 1861 57.9 771.097 10.26 2.32 0.052 -0.012 0.5 0.042 0.057 0.88 .07 .01-.01 .71 .42 .13 256.000 2008 1600 1760 1959 57.8 846.493 11.05 2.33 0.059 -0.009 4.6 0.050 0.058 0.83 .06 .02-.00 .69 .42 .13 288.000 2067 1675 1809 2013 57.2 938.433 12.15 2.34 0.044 -0.007 0.5 0.038 0.052 0.87 .04-.01-.01 .65 .42 .14 320.000 2018 1656 1767 1963 58.4 794.965 10.45 2.31 0.047 -0.004 0.4 0.040 0.059 0.98 .07-.01-.01 .68 .42 .14 352.000 1959 1653 1722 1920 59.0 517.958 6.97 2.27 0.062 -0.007 0.4 0.055 0.070 0.90 .06 .01-.00 .67 .45 .15 384.000 1878 1593 1656 1850 58.6 444.924 6.02 2.23 0.070 0.006 0.4 0.060 0.077 0.90 .06 .01 .00 .67 .47 .16 416.000 1725 1482 1525 1711 62.0 318.010 4.51 2.20 0.090 0.009 0.4 0.078 0.103 0.94 .06 .02 .01 .64 .53 .16 448.000 1535 1348 1384 1529 65.0 261.063 3.80 2.17 0.102 0.019 0.4 0.088 0.123 0.96 .04 .05-.00 .63 .57 .18 480.000 1121 1004 1029 1120 64.8 242.028 3.36 2.14 0.112 0.016 0.4 0.096 0.133 0.92 .06-.11 .00 .60 .76 .19 512.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 437 330 330 437 39.4 602.406 8.45 2.37 0.068 -0.034 0.5 0.059 0.062 0.82 .07 .01-.01 .51 .32 .12 30.000 1354 907 917 1352 37.9 687.157 9.10 2.38 0.056 -0.020 0.5 0.050 0.055 0.85 .05-.01-.01 .50 .35 .11 60.000 2120 1373 1398 2104 40.0 791.206 9.98 2.37 0.050 -0.009 0.5 0.044 0.053 0.85 .07 .01-.01 .50 .36 .12 90.000 2781 1760 1806 2754 45.3 753.678 9.71 2.35 0.050 -0.008 0.4 0.042 0.057 0.91 .06 .00-.00 .56 .39 .12 120.000 3378 2131 2227 3338 54.3 891.454 11.83 2.32 0.046 -0.002 0.4 0.042 0.056 0.90 .07-.01-.00 .61 .42 .14 150.000 3771 2372 2541 3719 61.4 569.805 8.01 2.26 0.059 0.002 1.1 0.048 0.070 0.90 .07 .01 .00 .68 .46 .15 180.000 4201 2645 2893 4127 69.0 405.605 5.89 2.20 0.080 0.013 0.9 0.070 0.080 0.91 .07 .01 .00 .71 .50 .17 210.000 4079 2577 2858 3996 72.1 340.330 4.94 2.17 0.090 0.012 1.2 0.076 0.094 0.91 .04 .03 .01 .74 .56 .18 240.000 2498 1801 1934 2470 69.1 488.570 6.93 2.17 0.071 0.009 0.4 0.057 0.070 0.88 .04 .00 .01 .68 .70 .20 270.000 984 710 737 982 59.2 448.455 6.21 2.14 0.076 0.024 0.5 0.063 0.076 0.87 .01-.01 .00 .65 .68 .20 300.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 9835 4451 4998 9589 72.3 185.559 2.54 2.19 0.138 -0.013 0.4 0.118 0.168 1.02 .08 .00-.00 .74 .54 .16 2.000 4476 1789 1809 4476 32.7 1449.872 19.07 2.42 0.039 0.000 2.3 0.036 0.043 0.84-.00 .00-.01 .40 .37 .14 3.000 7759 3772 4251 7681 70.4 195.459 2.75 2.19 0.136 -0.002 0.4 0.117 0.164 1.01 .09 .01 .01 .72 .55 .17 4.000 3533 1684 1684 3533 30.1 1429.317 20.42 2.40 0.039 0.005 0.6 0.035 0.040 0.83-.00 .00-.00 .40 .34 .16 5.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 4187 2013 2054 4165 39.4 735.785 9.54 2.37 0.053 -0.015 0.5 0.047 0.056 0.86 .06 .00-.01 .51 .35 .12 2.000 633 160 160 633 24.0 5435.508 58.83 2.98 0.034 -0.001 13.8 0.031 0.033 0.83-.03 .00-.03 .45 .28 .16 3.000 1837 972 972 1837 28.0 1590.002 21.60 2.41 0.033 0.003 0.6 0.032 0.035 0.87-.00 .01-.00 .38 .33 .15 4.000 3258 2156 2191 3257 51.1 367.609 5.07 2.24 0.082 0.007 0.4 0.077 0.096 0.93 .04-.01-.00 .52 .53 .16 5.000 4887 2840 3105 4754 79.9 124.441 1.70 2.16 0.191 -0.012 0.3 0.170 0.239 1.05 .09 .01 .00 .79 .57 .17 6.000 3534 1954 2397 3384 84.6 91.856 1.31 2.16 0.234 -0.021 0.3 0.210 0.316 1.06 .08 .00-.00 .86 .51 .15 7.000 3630 2269 2586 3612 77.5 130.682 1.84 2.15 0.187 0.009 0.4 0.167 0.239 1.04 .09 .02 .01 .75 .62 .18 8.000 2166 1600 1618 2166 46.1 384.679 5.72 2.22 0.081 0.022 0.4 0.075 0.096 0.93 .03 .02 .01 .48 .50 .19 9.000 1471 901 901 1471 27.3 1360.081 20.63 2.35 0.038 0.012 0.6 0.036 0.034 0.79 .01 .01-.00 .37 .32 .17 10.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.710 1236 1104 1116 1234 57.8 610.610 8.49 2.26 0.059 0.010 0.5 0.055 0.060 0.86 .05-.02 .01 .64 .48 .15 7.487 1331 1222 1236 1323 56.6 536.012 7.41 2.25 0.068 -0.004 5.0 0.059 0.069 0.79 .04 .03 .01 .66 .50 .15 14.263 1295 1142 1249 1283 59.1 531.140 7.35 2.26 0.066 0.020 0.4 0.057 0.066 0.82 .05 .00-.00 .65 .50 .16 21.040 1325 1148 1270 1305 58.3 633.833 8.67 2.26 0.056 0.014 0.4 0.051 0.066 0.89 .06-.01-.00 .63 .50 .16 27.816 1328 1148 1237 1326 59.0 570.822 7.94 2.25 0.064 0.020 0.4 0.056 0.074 0.94 .08 .01-.00 .64 .47 .15 34.593 1293 1091 1169 1293 59.1 685.924 9.29 2.28 0.055 0.010 0.4 0.049 0.056 0.81 .04 .03 .00 .65 .47 .16 41.369 1311 1119 1170 1311 59.4 577.866 8.00 2.27 0.068 -0.000 0.5 0.062 0.069 0.87 .06 .01 .01 .65 .53 .16 48.146 1304 1108 1156 1304 61.3 515.436 7.15 2.28 0.064 -0.002 0.4 0.057 0.075 1.03 .08 .00 .00 .64 .49 .16 54.922 1302 1089 1186 1302 63.0 597.100 8.37 2.29 0.063 -0.015 0.5 0.055 0.063 0.91 .09 .03-.00 .67 .53 .16 61.699 1336 1042 1236 1291 58.9 681.095 9.46 2.28 0.048 -0.005 0.4 0.043 0.056 0.91 .05-.01 .01 .66 .47 .16 68.475 1323 1091 1247 1295 59.3 693.102 9.44 2.26 0.054 -0.008 0.4 0.043 0.061 0.99 .07 .03 .00 .63 .51 .17 75.252 1322 1193 1276 1319 58.5 663.325 8.88 2.26 0.055 -0.020 0.4 0.048 0.064 0.94 .08-.01 .01 .65 .50 .16 82.028 1298 1194 1262 1290 59.9 554.351 7.69 2.25 0.061 -0.016 0.4 0.053 0.071 0.92 .03 .04 .01 .66 .49 .17 88.805 1313 1191 1239 1283 58.7 546.063 7.57 2.24 0.067 -0.009 1.9 0.057 0.083 0.86 .04 .01-.01 .64 .51 .16 95.581 1276 1170 1196 1253 57.0 551.079 7.52 2.25 0.065 -0.017 0.4 0.053 0.073 0.85 .07 .01-.00 .64 .49 .15 102.358 1336 1144 1206 1275 59.1 516.526 7.32 2.24 0.061 -0.006 0.4 0.048 0.070 0.84 .05 .02-.00 .65 .49 .16 109.134 1313 1168 1228 1262 58.4 501.694 7.01 2.24 0.074 0.014 0.5 0.060 0.085 0.89 .06-.00-.00 .64 .49 .16 115.911 1331 1041 1084 1300 57.9 491.943 6.85 2.24 0.060 0.001 0.4 0.046 0.073 0.85 .06-.01-.00 .63 .51 .16 122.687 1086 992 992 1086 56.0 584.742 7.93 2.25 0.062 0.012 0.4 0.045 0.065 0.87 .06-.02-.01 .65 .51 .15 129.464 944 911 911 944 62.0 583.585 7.71 2.24 0.060 0.009 0.4 0.046 0.055 0.72 .07 .00 .00 .69 .47 .14 136.240 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 1324 1165 1251 1276 60.0 606.318 8.32 2.24 0.054 -0.010 0.4 0.041 0.072 0.95 .05 .02-.01 .65 .49 .17 10.000 1268 1160 1194 1251 57.6 571.120 7.90 2.25 0.057 -0.005 0.4 0.045 0.065 0.85 .08 .01 .00 .66 .50 .17 20.000 1283 1154 1154 1283 57.2 598.268 8.16 2.24 0.062 0.006 0.4 0.049 0.065 0.85 .04 .00-.00 .63 .51 .15 30.000 1047 937 937 1047 57.5 617.411 8.28 2.25 0.064 -0.004 0.5 0.055 0.054 0.72 .06 .02-.01 .65 .45 .16 40.000 342 308 308 342 48.2 673.660 9.88 2.27 0.063 -0.009 0.5 0.063 0.048 0.77 .02 .04-.01 .50 .48 .19 50.000 350 333 333 350 48.9 535.088 8.10 2.26 0.109 0.047 0.8 0.103 0.081 0.69 .03 .00-.00 .52 .46 .18 60.000 369 362 362 369 53.1 593.257 8.78 2.26 0.054 0.002 0.4 0.053 0.057 0.76 .04 .01 .00 .55 .52 .17 70.000 127 125 125 127 48.8 645.751 9.24 2.27 0.056 0.024 0.5 0.056 0.059 0.72 .01-.02-.01 .51 .51 .15 80.000 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 90.000 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 .00 100.000 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 .00 110.000 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 .00 120.000 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 .00 130.000 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 .00 140.000 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 .00 150.000 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 .00 160.000 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 .00 170.000 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 .00 180.000 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 .00 190.000 488 477 477 488 60.7 549.302 7.49 2.26 0.068 0.007 0.5 0.063 0.060 0.81 .07 .00 .01 .69 .48 .14 200.000 926 861 864 924 60.0 547.258 7.43 2.25 0.061 -0.003 0.4 0.061 0.066 0.89 .04 .03 .00 .68 .51 .14 210.000 937 882 916 937 59.8 527.735 7.10 2.26 0.065 0.010 0.4 0.060 0.060 0.73 .03 .00-.01 .66 .48 .14 220.000 917 794 907 915 61.2 512.892 6.91 2.27 0.064 0.002 0.4 0.056 0.070 0.88 .05-.00 .00 .68 .49 .15 230.000 955 856 934 955 61.7 521.553 7.10 2.26 0.065 0.016 0.4 0.062 0.074 0.97 .07-.01 .01 .65 .49 .15 240.000 1063 960 1006 1063 61.8 517.928 7.03 2.26 0.066 0.006 0.4 0.059 0.075 0.92 .08 .01-.00 .65 .47 .15 250.000 1295 1143 1182 1292 58.7 602.929 8.41 2.28 0.067 -0.002 2.5 0.054 0.068 0.80 .06-.00 .01 .65 .48 .16 260.000 1287 1169 1196 1278 60.8 449.987 6.30 2.27 0.076 0.001 3.0 0.070 0.091 0.92 .06-.00 .01 .66 .52 .16 270.000 1278 1166 1192 1264 61.2 536.218 7.34 2.29 0.068 -0.009 0.4 0.062 0.071 0.95 .10 .01-.01 .65 .50 .15 280.000 1298 1068 1198 1275 59.6 678.278 9.26 2.28 0.055 0.007 0.4 0.045 0.056 0.88 .07 .00-.00 .66 .50 .16 290.000 1279 998 1210 1227 59.6 676.405 9.28 2.27 0.054 0.010 0.4 0.045 0.051 0.85 .06-.00 .00 .66 .49 .16 300.000 1298 1049 1173 1283 59.9 621.780 8.56 2.26 0.052 -0.001 0.4 0.047 0.058 0.87 .06-.01 .00 .65 .51 .17 310.000 1273 1131 1215 1273 56.4 665.090 8.94 2.25 0.058 -0.002 0.4 0.050 0.059 0.85 .05-.01 .02 .63 .50 .16 320.000 1326 1170 1267 1308 60.1 563.618 7.91 2.24 0.057 -0.004 0.4 0.046 0.071 0.97 .04 .02-.00 .64 .49 .16 330.000 1284 1146 1227 1259 59.3 581.301 8.10 2.24 0.059 -0.013 1.9 0.050 0.073 0.88 .04 .02-.00 .66 .53 .16 340.000 1276 1114 1194 1239 58.9 551.683 7.71 2.25 0.056 -0.005 0.4 0.041 0.073 0.94 .07 .02 .00 .63 .51 .15 350.000 1313 1128 1222 1254 57.5 602.404 8.45 2.24 0.056 -0.009 0.4 0.039 0.067 0.97 .06 .02 .00 .66 .49 .16 360.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1285 1184 1189 1283 61.6 595.441 8.13 2.25 0.060 0.009 0.4 0.058 0.059 0.85 .05 .00-.00 .68 .52 .15 0.056 1530 1471 1472 1529 62.4 518.368 7.16 2.24 0.071 0.026 0.4 0.066 0.079 0.90 .09 .02 .00 .66 .49 .15 0.112 1251 1156 1156 1251 62.6 421.550 5.74 2.30 0.093 -0.011 0.5 0.090 0.097 0.94 .11 .00-.00 .68 .50 .14 0.168 1510 1241 1501 1510 62.8 542.374 7.15 2.30 0.062 -0.008 0.4 0.061 0.057 0.85 .07-.03 .00 .66 .52 .15 0.224 1267 1151 1252 1224 60.3 492.645 6.57 2.25 0.068 -0.021 2.0 0.064 0.077 0.88 .01 .02-.01 .65 .51 .15 0.280 1510 1173 1347 1355 61.7 509.974 6.93 2.24 0.055 -0.005 0.4 0.043 0.069 0.98 .05 .00 .00 .70 .51 .15 0.336 1324 1215 1223 1318 62.1 587.795 7.91 2.23 0.059 0.015 0.4 0.046 0.059 0.85 .06 .01-.00 .69 .50 .15 0.392 1240 1051 1151 1240 58.1 482.406 6.45 2.27 0.069 -0.000 0.4 0.062 0.065 0.79 .02 .02 .01 .66 .47 .15 0.448 1530 1337 1526 1529 61.8 541.778 7.15 2.29 0.058 -0.012 0.4 0.051 0.067 0.90 .06-.02-.00 .67 .47 .15 0.504 1217 1166 1215 1217 66.1 577.134 7.83 2.28 0.058 -0.015 0.4 0.048 0.073 1.03 .07 .00 .00 .70 .51 .15 0.560 1547 1281 1389 1471 62.7 561.482 7.75 2.24 0.056 -0.012 0.4 0.042 0.063 0.94 .09-.01 .01 .70 .49 .16 0.616 1510 1480 1497 1510 61.0 502.812 6.91 2.23 0.063 -0.004 0.4 0.037 0.075 0.90 .08-.01 .00 .68 .51 .15 0.672 1284 1246 1247 1284 61.1 421.138 5.80 2.23 0.070 -0.001 0.4 0.039 0.094 0.88 .07-.02-.00 .67 .48 .15 0.728 1195 984 991 1194 57.0 531.519 7.23 2.25 0.065 0.005 0.4 0.047 0.064 0.77 .08-.03 .00 .64 .48 .15 0.784 1170 992 1049 1133 50.7 708.207 10.34 2.25 0.059 0.018 5.8 0.047 0.054 0.77 .05 .02-.00 .57 .50 .18 0.840 960 790 896 958 51.0 849.140 12.22 2.26 0.050 0.024 0.5 0.044 0.044 0.80 .02 .02 .00 .57 .50 .19 0.896 1147 975 1111 1147 52.6 812.770 12.03 2.25 0.046 0.006 0.5 0.043 0.055 0.97 .04 .05 .00 .55 .49 .18 0.952 969 842 924 969 51.5 942.636 13.41 2.26 0.048 -0.018 0.5 0.041 0.053 0.97 .05 .08 .01 .57 .49 .19 1.008 1148 1076 1083 1148 50.6 688.219 9.82 2.27 0.062 -0.017 0.5 0.062 0.059 0.78 .04 .06-.01 .54 .46 .19 1.064 1009 884 884 1009 50.2 585.841 8.71 2.26 0.074 0.021 0.6 0.071 0.073 0.76 .03 .00-.00 .53 .50 .17 1.120 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 9486 5261 5807 9279 61.9 528.238 7.14 2.26 0.065 0.002 0.6 0.059 0.079 0.93 .06 .00-.00 .68 .51 .15 2.000 9460 4863 5327 9383 61.5 510.124 6.92 2.26 0.063 -0.008 0.4 0.048 0.074 0.94 .07-.01 .00 .68 .49 .15 3.000 6657 3694 4087 6617 51.2 757.743 11.01 2.26 0.055 0.005 1.4 0.049 0.063 0.90 .04 .03 .00 .56 .49 .18 4.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4341 1953 2272 4225100.0 -6.404 -0.14 2.20 1.253 -2.050 2.2 1.219 1.704 1.00 .06 .00 .00 .96 .71 .21 0.100 1149 864 964 1122100.0 12.276 0.24 2.20 0.871 -0.179 0.3 0.866 1.312 1.07 .02-.01 .00 .89 .67 .20 0.200 1202 922 1015 1177100.0 20.578 0.40 2.20 0.680 -0.005 0.3 0.647 0.970 1.05 .06 .02 .00 .87 .65 .21 0.300 1253 970 1073 1233100.0 28.342 0.52 2.20 0.591 0.051 0.3 0.565 0.763 1.00 .09 .00-.00 .85 .66 .20 0.400 1222 963 1045 1201100.0 39.481 0.70 2.20 0.457 0.091 0.3 0.419 0.614 1.06 .08-.00 .00 .78 .64 .19 0.500 1220 918 998 1204 99.8 51.795 0.89 2.20 0.351 0.066 0.3 0.332 0.458 0.99 .09 .02 .01 .76 .57 .17 0.600 1607 1145 1236 1590 98.9 71.629 1.16 2.19 0.291 0.023 0.3 0.269 0.375 1.01 .09 .02 .01 .69 .55 .16 0.700 1650 1135 1226 1638 91.1 98.635 1.49 2.20 0.227 0.012 0.3 0.221 0.297 1.03 .09 .02 .01 .63 .49 .15 0.800 2632 1431 1541 2606 54.3 147.885 2.06 2.21 0.178 0.006 0.4 0.163 0.225 1.01 .09 .00 .00 .50 .39 .13 0.900 9327 2119 2225 9283 2.0 1507.008 15.04 2.35 0.043 0.003 0.6 0.039 0.053 0.88 .03 .01-.00 .23 .20 .11 1.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 25325 5434 6162 25001 58.9 583.541 8.05 2.26 0.061 -0.000 0.8 0.052 0.081 0.94 .06 .01 .00 .65 .48 .16 0.050 83 81 83 83 66.3 202.493 2.95 2.14 0.125 0.041 0.4 0.130 0.123 0.69 .05-.31-.01 .61 1.0 .21 0.100 6 6 6 6 83.3 86.603 1.66 2.12 0.304 0.267 0.6 0.273 0.322 1.13 .47-.35-.03 1.0 1.3 .17 0.150 6 6 6 6 66.7 1664.430 20.20 2.20 0.016 0.009 0.3 0.012 0.015 0.33-.20-.78 .01 .47 1.6 .23 0.200 14 13 14 14 50.0 821.772 10.90 2.22 0.041 0.015 0.4 0.042 0.036 0.61 .02 .04 .00 .70 1.1 .13 0.250 61 60 61 61 52.5 522.030 7.34 2.24 0.069 0.014 0.5 0.059 0.057 0.75-.26-.04-.01 1.1 .99 .18 0.300 66 63 66 66 66.7 284.408 3.26 2.14 0.110 0.031 0.3 0.092 0.105 0.89 .19-.37 .01 .55 1.5 .23 0.350 6 6 6 6 50.0 262.476 3.09 2.15 0.113 0.061 0.4 0.095 0.177 1.56 .13 .64 .03 .46 1.3 .26 0.400 16 16 16 16 75.0 158.000 1.58 2.10 0.170 0.121 0.3 0.155 0.159 0.73 .42-.60-.06 1.1 1.6 .20 0.450 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 0.500 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 0.550 20 19 20 20 60.0 462.063 3.76 2.13 0.109 -0.022 0.4 0.080 0.096 0.93 .23-.63-.03 .68 1.6 .15 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 marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 2482 1918 2078 2452 76.8 282.457 4.12 2.22 0.112 0.006 0.4 0.095 0.110 0.93 .07-.01 .00 .70 .57 .19 0.050 2394 1847 1983 2353 68.0 373.212 5.27 2.22 0.078 -0.001 0.4 0.068 0.092 1.01 .08 .03-.00 .64 .54 .19 0.100 1391 1166 1249 1372 60.0 380.256 5.13 2.24 0.083 -0.007 2.8 0.076 0.094 0.86 .07 .02 .00 .61 .49 .18 0.150 1079 933 988 1069 54.4 679.980 8.81 2.25 0.052 -0.000 0.4 0.045 0.061 0.92 .05 .02 .03 .56 .48 .19 0.200 597 539 564 591 53.6 623.421 8.16 2.29 0.054 -0.002 0.4 0.046 0.064 0.93 .06-.02 .03 .54 .40 .17 0.250 805 683 722 797 50.1 735.146 9.97 2.29 0.054 0.005 0.5 0.047 0.050 0.78 .07 .01 .03 .59 .46 .15 0.300 1018 822 882 999 48.7 702.604 9.51 2.29 0.054 -0.001 0.5 0.045 0.058 0.84 .09 .02 .03 .67 .45 .12 0.350 967 803 843 957 54.8 653.815 9.22 2.27 0.060 -0.000 3.3 0.048 0.065 0.77 .06-.02 .03 .70 .47 .11 0.400 1241 1010 1070 1226 52.1 658.752 9.10 2.28 0.054 -0.006 0.4 0.046 0.055 0.84 .03 .02 .02 .67 .47 .10 0.450 1201 977 1019 1189 51.8 819.602 11.60 2.29 0.047 0.002 0.5 0.041 0.049 0.77 .04 .00 .02 .68 .51 .10 0.500 1599 1223 1282 1583 44.5 1434.576 18.20 2.33 0.041 0.006 0.6 0.037 0.044 0.84 .04-.01-.02 .67 .44 .11 0.550 1251 1002 1061 1233 50.3 647.755 9.03 2.28 0.053 -0.001 0.4 0.047 0.055 0.80 .09-.00-.02 .68 .47 .11 0.600 947 776 827 935 45.9 746.419 10.13 2.28 0.050 0.001 0.5 0.040 0.056 0.88 .08-.01-.02 .67 .45 .11 0.650 1017 836 892 1006 47.4 652.622 8.59 2.28 0.056 -0.005 0.4 0.048 0.056 0.79 .06 .02-.02 .67 .50 .13 0.700 731 634 660 724 47.1 723.399 9.45 2.29 0.055 -0.001 0.5 0.048 0.055 0.86 .08-.02-.03 .61 .42 .13 0.750 795 697 735 786 58.7 839.535 11.35 2.28 0.055 0.000 0.5 0.043 0.064 1.05 .02 .02-.04 .59 .48 .17 0.800 1051 908 956 1041 60.9 613.185 8.33 2.25 0.056 -0.002 0.4 0.054 0.064 0.89 .04 .01-.02 .59 .47 .18 0.850 1057 902 965 1046 62.2 337.458 4.70 2.23 0.082 0.002 0.4 0.075 0.097 0.92 .03 .01-.00 .61 .52 .18 0.900 1969 1594 1695 1938 65.3 359.697 5.14 2.22 0.087 -0.011 1.4 0.077 0.099 0.89 .04 .01 .01 .65 .52 .19 0.950 2011 1591 1735 1982 73.0 263.563 3.79 2.22 0.103 -0.001 0.4 0.084 0.111 0.96 .05 .00 .01 .66 .52 .18 1.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) PeakCts # 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 .00 123.387 372 304 316 365 97.8 19.131 0.57 2.33 0.502 -0.276 0.4 0.421 0.558 0.92 .15 .00 .00 .00 .68 .00 246.773 6213 3450 3768 6102 69.1 143.416 2.29 2.24 0.163 -0.028 0.7 0.143 0.205 0.96 .07-.00-.00 .80 .54 .05 493.547 14850 5015 5584 14653 64.6 222.807 3.10 2.23 0.122 -0.005 0.8 0.104 0.151 0.96 .06 .01-.00 .63 .50 .18 987.094 2715 1516 1663 2706 28.2 986.102 12.61 2.30 0.046 0.004 0.5 0.042 0.061 0.87 .02 .01 .01 .36 .37 .19 1974.188 906 454 488 906 8.5 2765.712 26.61 2.43 0.031 0.003 0.8 0.029 0.034 0.79 .01 .08 .06 .21 .40 .21 3948.375 318 137 138 318 1.3 5144.709 42.01 2.62 0.023 0.007 1.0 0.022 0.024 0.82-.01 .00-.01 .17 .27 .20 7896.750 136 49 49 136 0.0 11516.671 67.34 2.89 0.021 -0.001 1.4 0.020 0.020 0.78-.01-.00-.01 .09 .06 .17 15793.500 63 21 21 63 0.0 16489.694 93.54 3.06 0.025 0.011 2.3 0.024 0.021 0.72-.02-.01-.07 .05 .03 .15 31587.000 30 11 11 30 0.0 41665.470 132.19 3.12 0.042 0.003 9.7 0.039 0.046 0.87 .00 .00-.05 .08 .04 .12 63174.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 0.353 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 0.707 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 1.060 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 1.413 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 1.766 4046 1763 2117 3896 88.4 73.561 1.03 2.10 0.305 0.020 1.7 0.306 0.409 1.00 .06 .02 .00 .84 .68 .19 2.120 19378 4719 5249 19204 56.9 370.532 5.23 2.24 0.083 0.000 0.6 0.072 0.104 0.94 .07 .01 .00 .63 .47 .15 2.473 1638 465 465 1638 23.3 2179.132 25.31 2.59 0.030 -0.005 0.6 0.027 0.028 0.79-.00-.01-.02 .34 .26 .13 2.826 424 114 114 424 22.9 6797.830 67.36 3.00 0.027 0.008 1.4 0.025 0.033 0.85-.03 .01-.03 .40 .25 .16 3.180 117 52 52 117 18.8 8131.953 72.27 3.29 0.037 -0.012 1.8 0.036 0.020 0.50-.04 .00-.02 .33 .23 .16 3.533 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 591 468 541 575 99.8 11.694 0.22 2.18 0.668 -0.539 0.4 0.658 0.883 1.02-1.8-.01 .02 1.8 .73 .19 -1.380 177 159 172 171 99.4 31.711 0.57 2.19 0.453 -0.046 0.3 0.426 0.608 1.05-1.3-.05 .03 1.3 .67 .19 -1.260 243 226 240 239 98.4 25.922 0.48 2.19 0.497 -0.230 0.3 0.474 0.656 0.99-1.2 .06 .03 1.2 .71 .19 -1.140 276 239 266 273 95.3 30.600 0.56 2.20 0.761 -0.465 7.3 0.961 0.993 0.77-1.1 .02 .02 1.1 .62 .17 -1.020 351 314 340 344 96.0 33.657 0.61 2.20 0.462 -0.130 0.4 0.420 0.579 1.03-.96 .01 .02 .96 .66 .19 -0.900 444 389 423 433 91.2 52.084 0.91 2.20 0.313 -0.011 0.3 0.278 0.415 1.04-.84-.01 .02 .84 .60 .18 -0.780 586 504 549 574 90.1 54.710 0.97 2.21 0.323 -0.018 0.4 0.278 0.398 1.02-.72 .03 .00 .72 .59 .19 -0.660 664 570 616 657 87.2 60.135 1.06 2.21 0.360 -0.105 4.5 0.264 0.451 0.84-.60-.00 .02 .60 .60 .19 -0.540 873 742 807 862 80.2 87.768 1.49 2.21 0.252 -0.041 4.2 0.251 0.315 0.85-.48 .03 .01 .48 .56 .18 -0.420 1177 992 1066 1161 70.8 114.703 1.86 2.22 0.185 0.007 0.4 0.163 0.224 0.96-.36 .02 .01 .36 .55 .17 -0.300 1540 1275 1344 1530 56.4 226.313 3.30 2.24 0.122 0.006 0.4 0.105 0.134 0.93-.23 .01 .01 .24 .48 .16 -0.180 2461 1789 1879 2441 38.1 754.823 9.23 2.29 0.056 0.007 0.5 0.051 0.061 0.89-.12 .00 .01 .12 .38 .14 -0.060 4582 2201 2297 4552 22.1 2130.853 21.13 2.39 0.035 0.001 0.6 0.032 0.050 0.89-.00 .01-.01 .04 .31 .13 0.060 2679 1919 2003 2661 36.3 554.372 6.95 2.28 0.069 0.002 0.5 0.061 0.076 0.89 .12-.01-.00 .12 .40 .14 0.180 1867 1484 1563 1855 49.4 248.699 3.49 2.24 0.114 -0.008 0.4 0.100 0.137 0.93 .24 .01-.00 .24 .42 .15 0.300 1464 1207 1279 1449 62.6 162.318 2.42 2.22 0.182 0.038 0.4 0.168 0.203 0.93 .36 .02-.00 .36 .52 .16 0.420 1121 965 1041 1097 71.5 111.753 1.75 2.21 0.200 -0.018 0.4 0.178 0.248 1.02 .48-.00 .00 .48 .51 .17 0.540 880 749 822 864 74.8 95.933 1.53 2.21 0.216 -0.018 0.4 0.195 0.277 1.05 .60 .04 .00 .60 .56 .18 0.660 807 703 761 798 84.4 71.507 1.19 2.20 0.267 -0.029 0.3 0.241 0.327 0.93 .72 .00-.01 .72 .56 .17 0.780 587 521 555 577 87.7 60.905 1.05 2.21 0.293 -0.028 0.3 0.263 0.365 0.96 .84 .01 .00 .84 .59 .18 0.900 542 467 509 530 91.5 51.404 0.88 2.20 0.328 -0.025 0.3 0.281 0.407 1.04 .96-.01-.02 .96 .60 .18 1.020 395 345 382 385 96.2 39.368 0.69 2.18 0.401 -0.097 0.3 0.376 0.519 1.01 1.1 .01-.01 1.1 .63 .18 1.140 307 257 293 295 97.4 37.568 0.66 2.20 0.383 -0.021 0.3 0.383 0.489 0.99 1.2-.05-.03 1.2 .64 .17 1.260 239 216 235 233 98.3 33.778 0.58 2.18 0.458 -0.090 0.3 0.435 0.595 1.05 1.3 .03-.02 1.3 .66 .18 1.380 750 612 687 723 99.6 16.160 0.30 2.18 0.619 -0.408 0.4 0.579 0.803 1.07 1.8-.03-.03 1.8 .73 .17 1.500 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 250 227 248 248 98.4 17.524 0.33 2.16 0.552 -0.247 0.4 0.466 0.671 1.05 .08-1.7-.02 1.1 1.7 .26 -1.380 104 88 102 99100.0 9.267 0.18 2.17 0.617 -0.529 0.3 0.573 0.792 1.00-.01-1.3 .01 1.0 1.3 .25 -1.260 150 141 148 149 98.7 24.390 0.45 2.18 0.487 -0.192 0.3 0.440 0.615 0.99 .15-1.2 .02 .92 1.2 .20 -1.140 224 205 224 219 97.8 29.018 0.54 2.18 0.425 -0.106 0.3 0.373 0.574 0.94 .06-1.1 .01 .95 1.1 .21 -1.020 315 275 309 312 97.1 28.214 0.52 2.19 0.479 -0.077 0.3 0.455 0.644 1.03-.03-.96 .00 .91 .96 .20 -0.900 377 334 361 372 96.8 36.432 0.67 2.20 0.415 -0.038 0.3 0.395 0.501 0.98 .10-.84-.00 .82 .84 .18 -0.780 604 526 569 591 93.0 50.504 0.89 2.19 0.319 -0.073 0.3 0.281 0.431 1.10 .10-.72-.00 .78 .72 .19 -0.660 772 668 725 762 89.6 57.820 1.01 2.21 0.300 -0.020 0.3 0.253 0.362 1.04 .05-.59 .01 .79 .60 .17 -0.540 986 833 896 972 83.2 72.615 1.25 2.21 0.256 -0.009 0.3 0.233 0.326 1.04 .10-.48-.00 .73 .48 .18 -0.420 1344 1127 1207 1329 73.3 114.598 1.82 2.22 0.192 -0.010 0.4 0.167 0.228 0.99 .08-.36-.00 .71 .36 .16 -0.300 1822 1454 1545 1796 61.0 180.095 2.72 2.23 0.138 0.013 0.4 0.123 0.157 0.93 .06-.24 .01 .63 .24 .15 -0.180 2912 2119 2225 2885 43.0 471.336 6.18 2.27 0.075 0.008 0.4 0.066 0.082 0.89 .08-.12-.00 .53 .12 .13 -0.060 5415 2548 2699 5376 25.5 1951.942 19.65 2.38 0.037 -0.001 1.1 0.032 0.056 0.88 .03-.00-.01 .42 .03 .12 0.060 3045 2128 2273 3004 40.4 495.794 6.33 2.27 0.078 0.009 0.5 0.069 0.085 0.88 .05 .12-.00 .53 .12 .14 0.180 1899 1534 1630 1874 58.1 204.533 2.96 2.22 0.128 0.002 0.4 0.108 0.157 1.02 .07 .24 .00 .61 .24 .15 0.300 1400 1150 1238 1379 70.3 123.082 1.95 2.21 0.190 -0.016 1.7 0.179 0.244 0.92 .08 .36 .01 .72 .36 .17 0.420 1086 919 999 1067 82.3 74.183 1.26 2.21 0.246 -0.008 0.3 0.218 0.301 0.97 .06 .48 .01 .74 .48 .16 0.540 843 718 778 827 86.7 61.138 1.06 2.20 0.304 -0.016 0.3 0.268 0.377 1.00 .05 .60 .01 .77 .60 .18 0.660 587 510 562 572 92.2 49.115 0.88 2.20 0.326 -0.034 0.3 0.277 0.433 1.03 .03 .72 .01 .82 .72 .19 0.780 436 387 421 431 94.0 40.044 0.75 2.20 0.370 -0.078 0.4 0.343 0.456 0.95 .07 .84-.01 .87 .84 .20 0.900 297 261 286 292 98.3 27.857 0.53 2.18 0.479 -0.157 0.4 0.460 0.615 1.00 .06 .96 .02 .89 .96 .22 1.020 212 191 209 208 96.2 30.690 0.56 2.17 0.454 -0.127 0.4 0.485 0.587 1.04 .08 1.1 .01 .82 1.1 .20 1.140 157 144 153 156 99.4 18.560 0.37 2.17 0.517 -0.190 0.3 0.462 0.692 0.97 .05 1.2-.01 .99 1.2 .22 1.260 116 102 111 114 99.1 15.830 0.32 2.19 0.523 -0.148 0.3 0.520 0.644 1.05 .10 1.3-.01 .89 1.3 .21 1.380 250 227 245 245 98.4 13.163 0.28 2.16 1.141 -1.210 14.0 1.504 1.536 0.76 .03 1.7 .05 .93 1.7 .32 1.500 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 1 1 1 1100.0 -8.917 -0.63 2.26 0.030 -0.030 0.0 0.218 0.743 2.41 .97 .28-1.1 .97 .28 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 -1.020 1 1 1 1 0.0 185.491 12.99 2.08 0.108 -0.108 1.4 0.083 0.099 1.07 1.0-3.2-.92 1.0 3.2 .92 -0.900 2 2 2 2 50.0 54.259 2.51 2.15 0.413 -0.413 1.0 0.330 0.815 1.43 .50-1.1-.83 .50 1.3 .83 -0.780 4 3 4 4100.0 13.968 0.27 2.17 0.900 0.164 0.3 1.382 1.365 0.69-.19 .36-.69 .55 .52 .70 -0.660 46 41 46 45 97.8 32.054 0.67 2.18 0.429 -0.203 0.4 0.327 0.550 1.10 .18-.13-.58 1.0 .95 .59 -0.540 202 184 194 200 97.0 20.831 0.47 2.21 0.490 -0.027 0.3 0.398 0.616 1.09 .01-.04-.47 .79 .87 .47 -0.420 712 593 647 706 80.8 325.673 5.59 2.24 0.073 0.011 0.4 0.055 0.081 0.85 .12 .02-.35 .76 .69 .35 -0.300 1949 1553 1644 1930 67.0 537.195 7.97 2.26 0.062 0.010 0.4 0.054 0.065 0.82 .14 .01-.23 .67 .54 .23 -0.180 3407 2428 2565 3372 56.4 758.662 10.02 2.26 0.055 0.004 1.4 0.048 0.066 0.89 .09 .01-.11 .57 .44 .12 -0.060 13065 4880 5377 12883 52.3 680.692 8.75 2.27 0.058 -0.004 0.6 0.050 0.078 0.93 .07 .00-.00 .66 .46 .02 0.060 3264 2338 2539 3220 59.9 444.248 6.27 2.24 0.067 0.009 0.4 0.056 0.073 0.88 .00 .01 .11 .57 .44 .12 0.180 1886 1487 1605 1866 71.0 277.606 4.48 2.23 0.092 0.000 1.8 0.069 0.098 0.84-.02 .02 .23 .66 .54 .23 0.300 734 611 668 725 84.5 185.481 3.53 2.21 0.105 0.003 0.4 0.082 0.116 0.96-.06-.04 .35 .74 .66 .35 0.420 233 202 223 230 91.4 26.721 0.66 2.20 0.413 -0.027 0.4 0.356 0.612 1.15-.01 .09 .47 .72 .78 .47 0.540 60 49 59 57 83.3 20.140 0.58 2.17 0.467 -0.188 0.5 0.364 0.650 0.91 .09 .23 .59 .74 1.1 .59 0.660 23 21 22 23 82.6 26.132 1.43 2.22 0.338 -0.139 0.6 0.284 0.559 1.03 .12 .64 .72 .62 1.1 .72 0.780 9 5 9 9 77.8 12.805 0.70 2.16 0.494 -0.271 0.4 0.544 2.591 1.75 .11 1.6 .83 .80 2.1 .83 0.900 3 3 3 3100.0 18.456 1.06 2.19 0.470 0.441 0.4 0.602 0.370 0.50-.47 .58 .90 .80 .59 .90 1.020 2 1 2 2 50.0 53.215 3.60 2.12 0.392 -0.327 1.2 0.020 0.272 1.31-1.0 2.2 1.1 1.0 2.3 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 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 1.500 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 324 0 324 0 81.2 140.588 1.88 2.14 0.000 0.000 0.0 0.000 0.000 0.00 .15 .03 .01 .94 .55 .16 1.000 1288 514 644 1288 81.8 142.534 1.97 2.14 0.141 0.000 0.3 0.000 0.298 0.00 .05 .01 .00 .82 .58 .17 2.000 4572 1252 1524 4572 80.7 325.492 4.66 2.19 0.081 -0.000 0.3 0.064 0.106 1.17 .07 .01 .00 .80 .57 .18 3.000 5780 1443 1445 5780 73.9 241.243 3.42 2.20 0.124 0.000 1.8 0.115 0.164 1.04 .08 .01 .01 .74 .57 .16 4.000 4630 926 926 4630 57.8 489.863 6.71 2.24 0.069 -0.000 0.4 0.059 0.077 0.97 .07-.00 .00 .60 .49 .16 5.000 3054 509 509 3054 38.3 730.528 9.93 2.31 0.054 0.000 0.5 0.049 0.057 0.88 .03 .01-.00 .49 .40 .14 6.000 3297 471 471 3297 38.2 881.405 12.10 2.35 0.048 -0.000 0.5 0.045 0.041 0.69 .04-.01-.01 .47 .39 .15 7.000 1808 226 226 1808 31.4 1246.993 16.06 2.38 0.040 0.000 0.5 0.037 0.029 0.61 .02 .01-.01 .43 .34 .14 8.000 756 84 84 756 18.8 2159.039 26.83 2.49 0.040 -0.000 0.8 0.038 0.021 0.41 .00 .01-.01 .35 .29 .16 9.000 94 9 9 94 0.0 5078.564 55.23 2.97 0.022 -0.000 1.1 0.022 0.010 0.40 .01-.01-.03 .11 .13 .16 10.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 25603 5434 6162 25279 59.0 581.219 8.01 2.26 0.061 -0.000 0.7 0.052 0.081 0.94 .06 .01 .00 .65 .50 .16 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 marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 4160 678 678 4160 26.0 2309.702 28.77 2.54 0.033 -0.000 2.6 0.031 0.033 0.80-.01 .00-.01 .38 .29 .14 1.659 3630 625 628 3630 39.1 483.021 7.47 2.29 0.067 0.000 0.5 0.063 0.066 0.82 .03 .01 .00 .46 .39 .15 1.317 2987 588 615 2972 41.2 488.416 6.34 2.28 0.073 0.000 0.4 0.068 0.081 0.89 .04-.00 .00 .49 .41 .14 1.150 2747 597 629 2725 50.7 311.205 4.10 2.24 0.103 0.000 0.4 0.093 0.130 1.06 .10 .00 .00 .56 .45 .15 1.045 2362 543 597 2339 63.8 190.410 2.68 2.20 0.138 0.000 0.4 0.128 0.192 1.07 .11 .02 .01 .68 .52 .16 0.970 2314 548 633 2277 80.5 98.562 1.50 2.17 0.210 0.000 0.3 0.200 0.278 1.04 .09-.00 .00 .75 .58 .17 0.913 1932 485 585 1892 84.2 86.525 1.27 2.14 0.253 0.000 0.3 0.237 0.354 1.11 .08 .01 .01 .79 .60 .17 0.867 2060 499 619 2010 91.2 65.513 0.94 2.13 0.313 0.000 0.3 0.289 0.433 1.10 .09 .01 .00 .84 .64 .18 0.829 1748 450 590 1687 90.3 67.073 0.91 2.11 0.308 0.000 0.3 0.308 0.427 1.07 .09 .01 .00 .87 .63 .19 0.798 1663 421 588 1587 91.2 65.091 0.85 2.09 0.333 -0.000 0.3 0.321 0.486 1.04 .04 .03 .01 .92 .65 .18 0.770 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16383 3952 4577 16120 91.2 44.797 0.83 2.21 0.365 -0.060 0.8 0.326 0.478 1.01 .07 .01 .01 .79 .60 .18 176.582 3063 1031 1105 3041 5.1 252.146 3.12 2.24 0.128 0.012 0.4 0.115 0.172 0.97 .08 .01 .00 .38 .30 .12 353.163 2275 631 669 2254 0.0 497.788 5.29 2.30 0.086 0.010 0.5 0.077 0.106 0.92 .04 .01-.00 .23 .18 .11 706.327 1721 391 412 1706 0.0 996.543 9.33 2.33 0.056 0.002 0.6 0.052 0.063 0.85 .02 .01-.01 .14 .12 .10 1412.653 1026 219 227 1024 0.0 1981.139 15.69 2.40 0.041 0.003 0.7 0.037 0.043 0.84-.00 .00-.01 .09 .09 .10 2825.306 669 122 123 668 0.0 3945.133 26.10 2.53 0.030 0.001 0.8 0.028 0.031 0.79-.01 .00-.02 .06 .05 .10 5650.612 308 55 55 308 0.0 7662.965 39.35 2.62 0.023 0.001 0.9 0.021 0.023 0.85-.01-.00-.03 .05 .04 .11 11301.225 119 19 19 119 0.0 15550.239 75.27 3.01 0.030 0.001 3.3 0.029 0.033 0.62-.01-.00-.03 .05 .03 .14 22602.449 28 7 7 28 0.0 32403.861 99.63 3.04 0.031 0.006 3.2 0.031 0.023 0.57-.02-.00-.02 .03 .02 .10 45204.898 11 3 3 11 0.0 67023.818 138.11 3.03 0.027 0.003 3.7 0.021 0.046 1.47-.02 .00-.07 .04 .03 .10 90409.797 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 13862 3566 4171 13607100.0 30.188 0.57 2.20 0.482 -0.105 0.9 0.448 0.602 1.02 .07 .00 .00 .83 .63 .19 1.663 3164 1304 1404 3139 38.9 158.682 2.16 2.22 0.169 0.015 0.4 0.159 0.222 1.01 .09 .01 .00 .48 .39 .13 2.766 2818 985 1049 2793 0.0 300.302 3.60 2.26 0.117 0.004 0.4 0.105 0.145 0.98 .07 .02 .00 .31 .25 .12 4.601 1773 655 687 1761 0.0 551.510 5.68 2.30 0.082 0.015 0.5 0.077 0.087 0.86 .03 .01 .00 .19 .17 .11 7.652 1664 527 541 1658 0.0 986.207 10.05 2.34 0.056 -0.005 0.6 0.051 0.062 0.87 .01 .01-.01 .13 .13 .10 12.727 1067 351 357 1066 0.0 1885.983 16.18 2.40 0.039 0.002 0.6 0.037 0.044 0.80 .00-.00-.01 .10 .13 .11 21.168 723 216 216 723 0.0 3731.975 26.86 2.53 0.030 0.001 0.8 0.027 0.029 0.76-.01-.00-.02 .07 .06 .12 35.206 348 117 117 348 0.0 6288.562 42.92 2.71 0.022 0.003 1.0 0.021 0.023 0.80-.01 .00-.02 .07 .05 .14 58.556 131 32 32 131 0.0 14314.298 74.57 3.00 0.021 0.002 1.6 0.020 0.020 0.70-.01-.00-.03 .05 .04 .16 97.390 53 17 17 53 0.0 32473.940 122.60 3.09 0.039 0.006 6.9 0.037 0.039 0.83-.00-.00-.04 .07 .03 .11 161.979 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3414 1756 1814 3414 17.1 2153.386 20.42 2.38 0.014 0.001 0.2 0.017 0.042 0.85 .04 .01-.01 .34 .27 .12 0.030 2779 1734 1776 2779 20.4 1423.286 14.83 2.33 0.043 0.005 0.5 0.039 0.049 0.89 .04 .01-.00 .37 .30 .13 0.060 2045 1467 1514 2045 29.1 714.509 8.30 2.28 0.072 0.003 0.5 0.063 0.066 0.85 .05 .01-.00 .44 .33 .12 0.090 1607 1259 1314 1607 36.9 411.394 5.10 2.25 0.103 0.012 0.4 0.088 0.094 0.92 .06-.00-.00 .48 .39 .14 0.120 1333 1099 1143 1333 40.7 294.058 3.81 2.24 0.133 0.015 0.4 0.115 0.120 0.89 .06 .01 .01 .50 .41 .14 0.150 1099 907 948 1099 48.5 216.474 2.99 2.23 0.164 0.027 0.4 0.140 0.160 0.95 .07 .02-.00 .55 .44 .14 0.180 932 797 832 932 55.7 191.403 2.77 2.23 0.193 0.002 0.5 0.168 0.169 0.90 .04 .01-.00 .58 .45 .15 0.210 816 724 749 816 59.6 175.466 2.60 2.23 0.225 0.002 0.5 0.198 0.178 0.86 .09 .02 .00 .57 .45 .15 0.240 667 585 619 667 65.1 133.125 1.98 2.21 0.255 0.030 0.5 0.222 0.230 0.96 .07 .02 .01 .59 .46 .15 0.270 573 515 547 573 69.5 116.266 1.79 2.21 0.285 0.036 0.5 0.244 0.264 0.95 .06-.01-.00 .68 .49 .16 0.300 524 470 496 524 76.9 97.496 1.55 2.21 0.315 0.030 0.5 0.265 0.303 1.00 .06 .04 .00 .67 .55 .16 0.330 488 435 459 488 83.0 79.611 1.33 2.22 0.344 0.007 0.4 0.292 0.339 0.97 .09-.03 .01 .67 .55 .16 0.360 471 423 445 471 86.4 68.452 1.18 2.23 0.375 0.083 0.4 0.327 0.382 1.02 .10-.01-.01 .73 .58 .16 0.390 380 340 357 380 89.2 62.804 1.10 2.21 0.405 -0.015 0.4 0.331 0.396 1.00 .10 .01 .01 .69 .56 .17 0.420 348 318 337 348 89.4 62.205 1.07 2.20 0.434 0.028 0.5 0.362 0.429 1.03 .15 .00-.01 .76 .56 .17 0.450 371 336 359 371 94.1 46.759 0.85 2.20 0.464 0.020 0.4 0.396 0.480 1.05 .09-.01 .01 .76 .60 .17 0.480 303 282 295 303 95.7 45.680 0.80 2.20 0.494 0.059 0.4 0.406 0.489 0.99 .05-.07 .01 .78 .65 .18 0.510 269 247 267 269 95.5 42.085 0.76 2.20 0.524 0.070 0.4 0.429 0.556 1.04 .04-.03 .00 .79 .60 .18 0.540 285 263 275 285 97.5 39.834 0.71 2.19 0.555 0.051 0.4 0.470 0.614 1.11 .00 .07-.00 .83 .59 .17 0.570 6575 2807 3060 6575 99.5 11.820 0.25 2.21 1.139 -0.771 1.7 0.973 1.154 0.99 .06 .00 .01 .90 .68 .20 0.600 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 4830 2950 3209 4830 98.7 6.790 0.14 2.22 1.173 -3.884 2.2 1.001 1.048 0.99 .06-.01 .00 .92 .68 .20 -0.460 199 192 198 199 83.4 64.235 1.13 2.22 0.439 -0.500 0.5 0.371 0.435 1.05 .16 .03-.02 .75 .52 .16 -0.420 236 217 228 236 83.5 68.005 1.19 2.23 0.399 -0.436 0.5 0.317 0.419 1.08 .11 .01 .01 .72 .52 .15 -0.380 285 269 285 285 83.2 69.359 1.22 2.24 0.358 -0.389 0.4 0.305 0.354 0.89 .09-.01-.01 .72 .57 .15 -0.340 299 282 294 299 74.2 98.236 1.59 2.23 0.320 -0.331 0.5 0.268 0.317 1.00 .08 .06-.00 .65 .59 .15 -0.300 351 327 344 351 69.2 126.862 1.95 2.22 0.277 -0.285 0.5 0.239 0.252 0.98 .08-.01-.01 .69 .49 .15 -0.260 402 371 385 402 61.2 187.000 2.85 2.23 0.237 -0.239 0.5 0.218 0.159 0.75 .14-.02-.00 .57 .43 .13 -0.220 506 469 484 506 54.5 210.663 3.12 2.25 0.196 -0.198 0.5 0.174 0.163 0.87 .08 .02-.00 .57 .45 .16 -0.180 614 560 577 614 48.7 229.765 3.17 2.25 0.158 -0.159 0.4 0.136 0.157 0.93 .06 .03 .01 .57 .46 .14 -0.140 857 742 774 857 37.5 350.105 4.45 2.26 0.118 -0.119 0.4 0.101 0.103 0.87 .06-.00 .00 .49 .39 .13 -0.100 1171 974 1013 1171 31.0 717.407 8.20 2.29 0.074 -0.074 0.4 0.063 0.064 0.86 .04 .02-.00 .45 .35 .13 -0.060 1782 1298 1330 1782 20.8 1487.810 15.08 2.35 0.037 -0.037 0.4 0.034 0.045 0.89 .05 .01-.00 .37 .31 .12 -0.020 2381 1411 1455 2381 17.7 2264.720 21.28 2.38 0.010 0.000 0.2 0.014 0.039 0.86 .04 .02-.01 .35 .27 .12 0.020 2030 1438 1479 2030 17.7 1607.583 16.52 2.34 0.036 0.036 0.4 0.034 0.042 0.87 .04 .01-.00 .35 .27 .13 0.060 1468 1211 1252 1468 29.8 624.621 7.42 2.26 0.078 0.078 0.5 0.069 0.068 0.83 .07 .01 .00 .45 .34 .12 0.100 1097 946 983 1097 39.3 335.104 4.28 2.23 0.119 0.119 0.4 0.102 0.110 0.97 .07 .00-.00 .48 .41 .14 0.140 877 756 792 877 47.0 212.559 2.90 2.22 0.159 0.159 0.4 0.136 0.152 0.94 .05 .00-.00 .53 .42 .14 0.180 708 637 668 708 56.5 165.632 2.38 2.22 0.198 0.199 0.4 0.166 0.186 0.96 .01 .02 .00 .58 .46 .14 0.220 591 533 561 591 64.3 135.965 2.00 2.21 0.238 0.239 0.4 0.208 0.219 0.93 .07 .03 .01 .59 .47 .16 0.260 430 392 416 430 67.9 123.400 1.84 2.20 0.279 0.281 0.5 0.230 0.258 1.02 .03 .00 .01 .63 .49 .17 0.300 393 360 380 393 79.9 91.208 1.46 2.20 0.319 0.321 0.4 0.277 0.296 1.00 .06-.01 .01 .68 .53 .16 0.340 349 321 338 349 87.1 76.268 1.26 2.21 0.360 0.363 0.4 0.301 0.352 1.05 .09-.02-.00 .70 .55 .17 0.380 301 273 287 301 93.0 61.105 1.06 2.20 0.398 0.401 0.4 0.354 0.384 0.97 .10-.01 .01 .69 .59 .19 0.420 270 244 260 270 94.1 58.057 1.00 2.19 0.440 0.442 0.4 0.373 0.428 1.00 .11-.01 .00 .78 .59 .18 0.460 2852 1796 1965 2852 99.5 32.249 0.62 2.20 0.743 0.762 0.4 0.626 0.650 1.01 .04 .02 .01 .82 .65 .20 0.500 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_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 23417 5426 5827 23417 61.5 412.317 5.84 2.25 0.060 0.002 0.3 0.051 0.084 0.95 .06 .01 .00 .66 .51 .16 1.000 1638 1124 1162 1638 25.0 1819.808 20.20 2.37 0.065 -0.007 1.3 0.056 0.052 0.86 .02 .02 .00 .49 .35 .15 2.000 161 132 134 161 6.8 5608.687 47.11 2.58 0.050 0.003 2.3 0.042 0.031 0.83-.02 .01-.01 .33 .31 .17 3.000 32 25 25 32 0.0 14749.481 77.51 2.85 0.045 0.008 3.5 0.044 0.022 0.48-.03 .01-.06 .08 .06 .13 4.000 10 8 8 10 0.0 23694.910 111.12 3.07 0.039 0.031 4.4 0.029 0.043 1.78-.00-.01-.07 .03 .02 .11 5.000 7 4 4 7 0.0 27213.129 105.60 3.11 0.052 0.005 5.5 0.052 0.012 0.22-.03 .01-.08 .04 .02 .15 6.000 3 3 3 3 0.0 49567.266 137.00 3.09 0.047 0.003 6.4 0.033 0.037 0.90-.01-.01-.05 .03 .01 .08 7.000 2 2 2 2 0.0 33571.949 128.80 2.96 0.056 -0.030 7.2 0.063 0.064 3.25 .03 .03-.13 .07 .04 .15 8.000 2 2 2 2 0.0 53220.249 126.82 3.06 0.067 -0.029 8.3 0.044 0.038 0.82-.01 .02-.06 .01 .03 .08 9.000 1 1 1 1 0.0 25063.100 102.68 3.01 0.088 0.088 9.0 0.080 0.017 0.19 .03 .00 .00 .03 .00 .00 10.000 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 11.000 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 12.000 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 13.000 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 14.000 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 15.000 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 16.000 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 17.000 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 18.000 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 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 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 21.000 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 22.000 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 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 6 2 2 6 50.0 8258.431 153.82 2.67 0.517 -0.1601353.4 0.476 0.227 0.48-.30 .34-.04 .57 .65 .16 25.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 25603 5434 6162 25279 59.0 581.219 8.01 2.26 0.061 -0.000 0.7 0.052 0.081 0.94 .06 .01 .00 .65 .50 .16 1.000 Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2274 597 956 1999 66.8 1290.071 19.36 2.36 0.039 -0.000 4.5 0.032 0.056 1.10 .03 .02-.00 .69 .53 .18 1.000 Coverage Statistics Integration of marc003 ...1.1(1): component 1 in sample 1 (component 1 in mo_marc003_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.659 678 678 100.00 6.14 0.033 678 100.00 0.033 28.77 26.0 to 1.317 1306 1306 100.00 5.96 0.038 1303 99.77 0.067 7.47 39.1 to 1.150 1921 1921 100.00 5.61 0.042 1891 98.44 0.073 6.34 41.2 to 1.045 2550 2550 100.00 5.30 0.046 2488 97.57 0.103 4.10 50.7 to 0.970 3147 3147 100.00 5.05 0.049 3031 96.31 0.138 2.68 63.8 to 0.913 3780 3780 100.00 4.81 0.052 3579 94.68 0.210 1.50 80.5 to 0.867 4365 4365 100.00 4.61 0.054 4064 93.10 0.253 1.27 84.2 to 0.829 4984 4984 100.00 4.45 0.057 4563 91.55 0.313 0.94 91.2 to 0.798 5574 5574 100.00 4.29 0.059 5013 89.94 0.308 0.91 90.3 to 0.770 6162 6165 99.95 4.15 0.061 5434 88.14 0.333 0.85 91.2 Local LS refinement averages ============== 08/17/2015 14:33:16 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: 6 Averaged orientation ('UB') matrix: -0.0280858 0.1042137 -0.0291243 0.0157820 -0.0607292 -0.0377230 -0.0499238 -0.0778256 -0.0095632 Weighted average cell constants: A B C Alpha Beta Gamma Vol 17.3471 6.9663 21.2045 90.000 104.028 90.000 2486.06 0.0020 0.0008 0.0026 0.000 0.002 0.000 0.88 Std deviations of the 6 input local LS results: 0.0099 0.0037 0.0124 0.000 0.008 0.000 3.95 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 8.4057 0.8755 4.846 47.897 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 -5.6152 0.2531 -0.0301 -0.1358 -0.0558 -0.9789 Unconstrained global unit cell refinement ============== 08/17/2015 14:33:16 Performing final unit cell least squares on file /home/isengard/data/marc003/work/mo_marc003_01._ma Input file contains 2882 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 (2882 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: 0.7107300, 0.0000093 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) 2882 0 2882 8.3824 0.8717 4.859 48.117 Orientation ('UB') matrix: -0.0281914 0.1046094 -0.0292653 0.0157635 -0.0612129 -0.0378768 -0.0501474 -0.0780068 -0.0095108 A B C Alpha Beta Gamma Vol 17.2790 6.9379 21.1198 89.995 104.014 89.987 2456.49 0.0020 0.0008 0.0025 0.002 0.002 0.002 0.87 Corrected for goodness of fit: 0.0026 0.0011 0.0033 0.003 0.002 0.002 1.13 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 149.995 89.489 -57.218 Goniometer zeros (deg): 0.0000* -0.1313 0.0000* 0.0370 (*=never refined) Crystal translations (pixels): -0.0246 0.0445 0.0933 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.8745 0.1776 -0.0519 -0.1269 -0.0612 -0.9225 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.12053e+04 1.13594e+04 1.30 4 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 2882 2882 1021 Average input ESD (pix, pix, deg): 0.12017 0.11300 0.12144 Goodness of fit: 1.19373 1.13558 1.86102 Highest-magnitude correlations: 1 0.98162 X-Center1 / A1 2 0.97932 X-Center1 / B1 3 0.97864 Distance1 / X-Center1 4 0.97702 X-Center1 / C1 5 0.97191 Distance1 / A1 6 0.96596 Distance1 / B1 7 0.96433 B1 / A1 8 0.96193 C1 / A1 9 0.96171 Distance1 / C1 10 0.95382 C1 / B1 New orientation is in /home/isengard/data/marc003/work/mo_marc003_0u.p4p Constrained global unit cell refinement ================= 08/17/2015 14:33:17 Performing final unit cell least squares on file /home/isengard/data/marc003/work/mo_marc003_01._ma Input file contains 2882 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 (2882 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: 0.7107300, 0.0000093 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) 2882 0 2882 8.3828 0.8716 4.859 48.121 Orientation ('UB') matrix: -0.0281837 0.1045922 -0.0292616 0.0157603 -0.0612102 -0.0378764 -0.0501495 -0.0780164 -0.0095123 A B C Alpha Beta Gamma Vol 17.2797 6.9383 21.1207 90.000 104.013 90.000 2456.85 0.0020 0.0008 0.0025 0.000 0.002 0.000 0.87 Corrected for goodness of fit: 0.0026 0.0011 0.0033 0.000 0.002 0.000 1.13 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 149.992 89.489 -57.226 Goniometer zeros (deg): 0.0000* -0.1314 0.0000* 0.0363 (*=never refined) Crystal translations (pixels): -0.0233 0.0440 0.0964 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.8820 0.1773 -0.0516 -0.1294 -0.0619 -0.9234 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.15417e+04 1.14371e+04 1.30 3 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 2882 2882 1021 Average input ESD (pix, pix, deg): 0.12017 0.11300 0.12144 Goodness of fit: 1.17962 1.14938 1.88282 Highest-magnitude correlations: 1 0.98280 X-Center1 / A1 2 0.98006 Distance1 / X-Center1 3 0.97969 X-Center1 / B1 4 0.97693 X-Center1 / C1 5 0.97187 Distance1 / A1 6 0.96637 Distance1 / B1 7 0.96466 B1 / A1 8 0.96301 Distance1 / C1 9 0.96300 C1 / A1 10 0.95400 C1 / B1 New orientation is in /home/isengard/data/marc003/work/mo_marc003_0m.p4p End global unit cell refinement ========================= 08/17/2015 14:33:18