SAINT V8.38A saint MusU_u.slm /BATCH /CONFIG:MusU_u.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 68 Total topped/rescanned pixels: 414 Minimum pixel ceiling(frame): 14880000(cu_lobo002_01_0001.sfrm) Maximum pixel ceiling(frame): 14880000(cu_lobo002_01_0001.sfrm) Total spots predicted: 16412 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 4731* Outside frame limits: 240* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 12* Spots exceeding dynamic range: 31* 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: 4* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 11373 Total spot components written: 11373 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 11373 Twin overlaps written: 0 Average Intensity: 14938.64 Average I/sigma: 41.443 % over "strong" threshold: 68.05 % less than 2 sigma: 21.69 % which spanned more than 1 frame: 19.92 Average X,Y,Z positional errors: 0.13 -0.07 0.02 RMS X,Y,Z positional errors: 1.65 0.51 0.24 % X,Y,Z more than 0.5 pixel: 45.88 21.87 5.18 % X,Y,Z more than 1.0 pixel: 26.16 5.85 0.12 Avg % profile volume populated: 98.01 Avg % profile volume integrated: 5.20 Avg % profile missing I: 1.84 Avg % profile missing volume: 1.99 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 11.11 Max % intensity on XYZ boundaries: 58.40 26.03 0.00 Average spot-shape correlation: 0.600 RMS spot-shape correlation: 0.675 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.274 0.257 1740 1.0 2.0 0.501 0.186 727 2.0 4.0 0.632 0.190 839 4.0 8.0 0.689 0.204 1120 8.0 16.0 0.718 0.198 1949 16.0 32.0 0.732 0.208 2258 32.0 64.0 0.776 0.198 2039 64.0 128.0 0.877 0.168 546 128.0 256.0 0.950 0.053 155 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: 11373 LS-fit intensities scaled: 4671 Full overlaps included in above: 0 Rejected due to poor spot shape: 57 Unwritable (I, sigma too large): 0 Number written: 11316 Sorting Reflection File ============================== 02/28/2020 11:36:40 Integration of lobo002 Merging input files 1 cu_lobo002_01.raw 2 cu_lobo002_02.raw 3 cu_lobo002_03.raw 4 cu_lobo002_04.raw 5 cu_lobo002_05.raw 6 cu_lobo002_06.raw 7 cu_lobo002_07.raw 8 cu_lobo002_08.raw 9 cu_lobo002_09.raw 10 cu_lobo002_10.raw 11 cu_lobo002_11.raw 12 cu_lobo002_12.raw 13 cu_lobo002_13.raw 14 cu_lobo002_14.raw 15 cu_lobo002_15.raw 16 cu_lobo002_16.raw Merging to output file: cu_lobo002_0m.raw 745 spot components in 745 spots read from file 1--/smb/isengard/data/lobo002/work/cu_lobo002_01.raw 710 spot components in 710 spots read from file 2--/smb/isengard/data/lobo002/work/cu_lobo002_02.raw 711 spot components in 711 spots read from file 3--/smb/isengard/data/lobo002/work/cu_lobo002_03.raw 744 spot components in 744 spots read from file 4--/smb/isengard/data/lobo002/work/cu_lobo002_04.raw 713 spot components in 713 spots read from file 5--/smb/isengard/data/lobo002/work/cu_lobo002_05.raw 809 spot components in 809 spots read from file 6--/smb/isengard/data/lobo002/work/cu_lobo002_06.raw 390 spot components in 390 spots read from file 7--/smb/isengard/data/lobo002/work/cu_lobo002_07.raw 716 spot components in 716 spots read from file 8--/smb/isengard/data/lobo002/work/cu_lobo002_08.raw 717 spot components in 717 spots read from file 9--/smb/isengard/data/lobo002/work/cu_lobo002_09.raw 765 spot components in 765 spots read from file 10--/smb/isengard/data/lobo002/work/cu_lobo002_10.raw 646 spot components in 646 spots read from file 11--/smb/isengard/data/lobo002/work/cu_lobo002_11.raw 701 spot components in 701 spots read from file 12--/smb/isengard/data/lobo002/work/cu_lobo002_12.raw 713 spot components in 713 spots read from file 13--/smb/isengard/data/lobo002/work/cu_lobo002_13.raw 772 spot components in 772 spots read from file 14--/smb/isengard/data/lobo002/work/cu_lobo002_14.raw 746 spot components in 746 spots read from file 15--/smb/isengard/data/lobo002/work/cu_lobo002_15.raw 718 spot components in 718 spots read from file 16--/smb/isengard/data/lobo002/work/cu_lobo002_16.raw 11316 spot components in 11316 spots written to file /smb/isengard/data/lobo002/work/cu_lobo002_0m.raw Computing Reflection File Statistics ========== 02/28/2020 11:36:41 Integration of lobo002 ................................................................................... Statistics for reflections in cu_lobo002_0m.raw File is in BrukerAXS area detector ASCII format Number of lines read (incl comments) = 11316 Number of reflection records read = 11316 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 11316 Number of spot components used = 11316 ................................................................................... Integration of lobo002 Statistics for sample 1 of 1 in cu_lobo002_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 7.079 12.731 9.814 90.000 102.323 90.000 2/mB Monoclinic B-uniq Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 259 147 170 247 22.8 24748.433 63.44 7.53 0.131 -0.094 4.1 0.144 0.151 0.94 1.3-.12-.04 3.8 .93 .19 32.000 443 225 257 434 19.2 12327.373 53.88 7.74 0.155 -0.040 3.6 0.088 0.248 1.26 .32-.07-.01 2.3 .67 .18 64.000 494 267 292 486 22.7 15681.843 58.31 8.12 0.114 -0.006 3.2 0.094 0.184 1.17-.07-.08 .01 2.5 .59 .19 96.000 551 293 326 544 23.4 12749.280 50.88 7.86 0.107 -0.019 2.9 0.105 0.193 1.13 .09-.08 .01 2.2 .68 .21 128.000 664 327 353 661 21.7 19981.892 57.58 8.49 0.125 0.018 3.4 0.104 0.151 0.89 .04-.07 .01 1.9 .59 .21 160.000 703 345 373 698 23.6 24043.623 58.18 8.61 0.135 0.041 3.1 0.116 0.150 0.80 .15-.10 .01 2.2 .56 .22 192.000 845 370 409 844 24.1 12635.856 40.91 8.44 0.120 0.023 2.8 0.109 0.147 0.99 .19-.08-.01 1.9 .52 .21 224.000 906 395 431 903 23.7 15715.691 47.25 8.24 0.151 0.034 2.9 0.121 0.178 0.95 .15-.06 .01 1.7 .51 .22 256.000 854 387 408 853 20.7 12687.662 36.46 7.93 0.142 0.040 2.9 0.129 0.121 0.70 .15-.04 .00 1.4 .47 .21 288.000 893 370 407 891 19.8 13062.069 35.22 7.67 0.126 0.025 2.8 0.117 0.122 0.72 .07-.06-.01 1.1 .44 .20 320.000 949 363 394 948 22.0 12344.644 33.53 7.39 0.125 -0.018 2.8 0.116 0.148 0.94 .14-.05 .03 1.1 .42 .22 352.000 920 338 372 920 20.5 13545.678 34.53 7.18 0.141 0.001 3.0 0.128 0.136 0.80 .10-.07 .01 .96 .41 .23 384.000 825 292 324 823 21.3 15264.841 36.43 6.96 0.153 -0.009 3.4 0.149 0.126 0.70 .12-.07 .05 .96 .39 .27 416.000 772 285 305 772 22.2 13751.026 33.57 6.71 0.160 -0.050 3.7 0.165 0.115 0.53 .06-.03 .04 .99 .42 .30 448.000 767 238 256 767 19.7 13245.778 32.09 6.40 0.150 -0.044 3.3 0.151 0.116 0.61 .11-.08 .06 .92 .41 .32 480.000 471 188 203 471 21.9 14299.176 32.41 6.35 0.212 -0.012 4.5 0.200 0.122 0.60-.27-.10 .03 1.4 .45 .29 512.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 380 313 327 380 21.6 11863.748 35.50 6.40 0.186 -0.131 4.4 0.173 0.159 0.75-.01 .01 .02 1.4 .79 .21 32.000 566 452 469 566 22.6 11682.185 35.13 6.69 0.163 -0.045 3.4 0.162 0.124 0.64 .25-.00 .00 1.7 .70 .21 64.000 633 497 525 631 20.4 14093.542 42.69 6.97 0.157 -0.012 3.4 0.134 0.151 0.86 .13-.04 .00 1.6 .60 .22 96.000 728 544 567 727 20.3 15939.783 41.93 7.30 0.141 -0.034 3.3 0.139 0.138 0.77 .12-.06 .01 1.6 .51 .23 128.000 801 594 621 799 19.5 20698.443 49.49 7.68 0.140 0.017 3.3 0.132 0.135 0.81 .10-.06 .01 1.5 .43 .24 160.000 800 594 640 796 21.8 15121.038 41.20 7.89 0.147 -0.010 3.2 0.120 0.163 0.91 .08-.07 .02 1.7 .44 .25 192.000 887 638 681 882 22.4 14911.300 39.28 8.02 0.131 0.027 2.9 0.120 0.150 0.94 .12-.05 .03 1.8 .35 .25 224.000 865 625 692 862 20.7 15300.943 42.50 8.25 0.134 0.003 3.2 0.131 0.142 0.58 .04-.05 .01 1.7 .35 .24 256.000 853 608 673 837 23.6 11825.865 34.59 8.20 0.142 0.029 3.1 0.127 0.105 0.67 .10-.07 .02 1.8 .37 .25 288.000 889 624 670 877 22.6 16217.704 42.90 8.11 0.143 0.035 2.9 0.120 0.149 0.81 .12-.08 .03 1.6 .37 .25 320.000 831 621 667 825 22.0 13323.720 37.31 7.95 0.143 0.005 3.1 0.141 0.139 0.69 .26-.09 .01 1.6 .41 .24 352.000 796 600 642 794 22.1 16755.230 45.33 7.87 0.125 -0.004 2.9 0.115 0.158 1.04 .23-.09 .02 1.6 .45 .24 384.000 711 526 548 710 22.4 12670.970 37.22 7.44 0.137 0.029 3.0 0.122 0.113 0.75 .13-.11-.00 1.7 .55 .23 416.000 678 512 547 678 24.5 17182.493 48.00 7.20 0.104 0.014 2.8 0.101 0.118 0.79 .07-.08 .04 1.7 .63 .22 448.000 564 452 474 564 21.6 13712.716 41.28 6.97 0.149 -0.036 3.3 0.117 0.154 0.88 .15-.11 .02 1.6 .67 .21 480.000 334 300 311 334 19.2 13230.021 39.14 6.69 0.136 -0.026 3.3 0.124 0.132 0.83 .14-.18-.00 1.8 .81 .21 512.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 189 134 150 188 21.7 10493.182 32.59 8.78 0.170 0.031 2.7 0.140 0.172 0.46 .08-.05 .01 1.8 .33 .22 30.000 554 358 386 549 23.8 16875.872 45.91 8.92 0.139 0.025 3.0 0.127 0.146 0.74 .20-.07 .01 1.6 .37 .22 60.000 924 550 594 919 21.5 15151.489 40.17 8.53 0.126 0.024 2.8 0.104 0.138 0.75 .16-.05 .00 1.7 .37 .21 90.000 1188 672 736 1184 21.5 14663.587 41.34 8.44 0.141 0.059 2.9 0.120 0.155 0.94 .13-.07 .01 1.6 .40 .22 120.000 1459 807 875 1453 22.6 17588.859 44.70 7.92 0.129 0.017 2.8 0.114 0.131 0.82 .11-.07 .01 1.5 .42 .24 150.000 1561 839 902 1558 21.8 14286.878 40.76 7.65 0.138 0.012 3.1 0.130 0.135 0.82 .07-.08 .02 1.7 .47 .25 180.000 1617 879 946 1610 22.8 12843.863 38.84 7.39 0.134 0.004 2.9 0.127 0.132 0.80 .10-.06 .02 1.5 .47 .23 210.000 1748 901 977 1737 21.1 14910.144 41.55 7.04 0.125 -0.025 3.3 0.117 0.132 0.81 .12-.07 .02 1.5 .54 .24 240.000 1268 731 784 1257 20.9 15007.130 40.59 6.80 0.157 -0.040 3.8 0.152 0.132 0.74 .15-.08 .02 1.7 .62 .24 270.000 808 495 524 807 20.8 14767.549 40.43 6.41 0.184 -0.087 4.3 0.169 0.181 0.90 .24-.09 .02 2.2 .82 .24 300.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 2422 1008 1122 2391 23.9 16581.778 52.83 8.27 0.127 0.015 3.1 0.103 0.182 0.98 .25-.11 .00 2.2 .61 .21 2.000 3234 1024 1121 3228 21.4 12852.412 33.42 7.23 0.140 0.006 3.0 0.134 0.117 0.78 .08-.08 .03 1.1 .43 .26 3.000 2443 961 1070 2426 21.9 17015.082 52.20 8.17 0.134 0.001 3.1 0.118 0.176 1.04 .14-.05 .00 2.1 .60 .21 4.000 3217 1038 1129 3217 20.5 14055.266 35.29 7.05 0.155 -0.020 3.4 0.149 0.147 0.81 .08-.04 .02 1.1 .42 .25 5.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1790 850 933 1779 22.4 14902.000 40.86 8.66 0.133 0.026 2.8 0.115 0.149 0.76 .17-.06 .00 1.7 .38 .22 2.000 1282 551 595 1281 20.8 14628.029 34.15 7.01 0.155 0.001 3.5 0.148 0.115 0.65 .04-.07 .05 1.0 .33 .30 3.000 1621 721 783 1620 21.8 12573.211 32.57 6.93 0.136 -0.015 2.9 0.136 0.121 0.78 .09-.09 .04 1.0 .44 .26 4.000 1030 637 676 1030 22.5 14147.568 41.98 7.63 0.124 0.042 2.8 0.114 0.110 0.77 .10-.09 .00 1.5 .58 .20 5.000 1122 607 656 1115 23.7 18517.764 58.99 8.04 0.124 -0.012 3.4 0.096 0.196 1.09 .30-.14 .00 2.4 .72 .20 6.000 763 390 460 735 22.7 14537.152 52.92 8.59 0.113 -0.004 2.9 0.111 0.121 0.79 .11-.06 .01 2.5 .39 .21 7.000 1093 604 646 1087 20.3 19405.534 57.02 7.98 0.140 0.012 3.4 0.120 0.173 1.07 .23-.04-.00 2.2 .71 .20 8.000 1025 622 655 1025 21.7 12728.237 38.91 7.30 0.143 -0.002 3.1 0.124 0.161 0.89 .10-.03 .00 1.4 .58 .20 9.000 1590 707 757 1590 20.8 13838.396 34.51 6.73 0.171 -0.044 3.7 0.166 0.141 0.70 .06-.05 .03 1.0 .44 .26 10.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.210 551 405 405 551 19.1 13646.125 38.21 7.57 0.159 -0.024 3.6 0.156 0.133 0.73 .03 .05-.03 1.5 .43 .18 5.331 576 437 437 576 20.8 16852.369 42.25 7.36 0.129 -0.059 2.9 0.120 0.158 0.93-.07-.00 .00 1.5 .40 .21 10.453 580 461 473 576 20.3 12499.958 36.84 7.41 0.126 -0.052 2.7 0.092 0.187 1.03 .01-.06 .01 1.5 .42 .20 15.574 573 447 463 570 18.8 12133.531 35.86 7.38 0.131 -0.052 2.8 0.102 0.153 0.99 .11-.08-.00 1.5 .40 .22 20.696 561 443 467 552 21.4 12325.821 36.76 7.50 0.134 -0.057 3.0 0.119 0.160 0.81-.01-.08 .02 1.6 .39 .23 25.817 572 433 465 570 24.8 10029.671 31.86 7.26 0.132 -0.041 2.7 0.127 0.105 0.71 .03-.03 .03 1.9 .49 .24 30.939 602 436 492 598 24.3 13683.446 41.75 7.43 0.158 -0.087 3.4 0.160 0.151 0.73 .08-.03 .02 1.7 .47 .22 36.060 552 402 447 547 23.7 11203.790 34.09 7.30 0.169 -0.083 3.4 0.146 0.130 0.70 .15-.01 .02 1.5 .47 .24 41.182 568 405 457 565 22.5 17428.769 43.92 7.50 0.150 -0.088 3.4 0.164 0.151 0.71 .16-.06 .02 1.8 .45 .24 46.303 552 397 449 546 23.9 10529.214 31.75 7.52 0.123 -0.042 2.7 0.115 0.113 0.64 .05-.09 .03 1.7 .48 .26 51.425 564 402 451 562 20.6 15949.954 42.18 7.67 0.143 -0.028 3.2 0.129 0.117 0.63 .02-.07 .01 1.6 .44 .25 56.546 568 392 436 562 22.4 12911.729 37.62 8.05 0.121 -0.006 3.0 0.123 0.125 0.71 .19-.07 .04 1.6 .51 .25 61.668 571 406 439 568 21.9 17658.862 47.85 7.94 0.116 0.048 2.9 0.093 0.136 0.90 .29-.15 .02 1.9 .59 .24 66.789 548 395 422 545 21.9 21488.221 50.94 8.03 0.096 0.059 2.9 0.088 0.142 0.80 .17-.13 .02 1.8 .61 .25 71.911 600 426 458 599 22.0 17090.474 47.30 7.90 0.137 0.076 3.1 0.114 0.156 0.87 .27-.13 .02 1.7 .59 .23 77.032 565 411 436 564 23.2 14986.677 42.18 7.87 0.144 0.054 3.3 0.123 0.130 0.79 .21-.14 .03 1.7 .67 .24 82.154 543 370 396 542 21.7 17252.042 44.04 7.77 0.178 0.117 3.6 0.148 0.158 0.80 .33-.12-.00 1.8 .61 .25 87.275 577 406 417 576 19.9 15538.266 43.58 7.51 0.149 0.049 3.3 0.139 0.110 0.67 .15-.08 .02 1.6 .60 .25 92.397 589 437 437 589 21.2 15732.319 42.56 7.57 0.155 0.038 3.8 0.139 0.142 0.88 .22-.13 .00 1.5 .55 .25 97.518 504 410 410 504 21.4 19415.996 47.71 7.57 0.150 0.048 3.9 0.152 0.150 0.93 .19 .00 .04 1.5 .49 .22 102.640 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 379 299 336 376 27.2 7305.620 23.80 7.14 0.118 -0.033 2.0 0.113 0.116 0.64 .28-.06 .01 2.0 .50 .27 10.000 390 302 337 387 23.3 7813.384 24.70 7.20 0.113 -0.021 2.0 0.102 0.118 0.68 .03-.09 .02 2.1 .49 .27 20.000 412 311 346 410 21.8 9108.483 26.92 7.17 0.111 -0.010 2.1 0.109 0.104 0.58 .06-.10 .03 1.8 .51 .28 30.000 383 293 322 382 26.6 8756.984 27.02 7.23 0.097 0.007 1.8 0.091 0.097 0.68-.02-.04 .02 1.9 .52 .27 40.000 388 300 325 384 23.7 7170.673 23.31 7.19 0.100 0.003 1.8 0.088 0.092 0.66 .25-.10 .03 1.9 .55 .27 50.000 409 325 348 408 28.1 8169.462 25.87 7.15 0.110 0.015 1.8 0.102 0.096 0.63 .14-.12 .04 2.2 .65 .27 60.000 392 323 340 391 25.8 8024.470 25.56 7.11 0.127 -0.007 2.0 0.110 0.104 0.66 .13-.12 .02 2.1 .65 .28 70.000 391 326 340 391 24.6 7757.914 25.36 6.97 0.127 0.016 2.0 0.112 0.110 0.70 .14-.08 .03 2.0 .65 .25 80.000 401 328 346 401 26.2 7520.640 24.75 7.11 0.137 0.029 2.1 0.110 0.105 0.66 .18-.11 .04 1.9 .71 .28 90.000 402 309 323 402 22.6 8991.540 27.28 7.14 0.149 0.023 2.5 0.142 0.108 0.60 .15-.14 .01 2.1 .65 .25 100.000 485 383 388 485 21.2 11011.200 32.50 7.22 0.162 0.047 3.0 0.162 0.104 0.61 .15-.10 .02 1.7 .60 .24 110.000 485 417 417 485 21.4 10769.575 32.04 7.13 0.148 -0.035 3.1 0.153 0.116 0.67 .12-.15 .01 1.5 .56 .25 120.000 400 356 360 400 20.8 10788.810 33.66 7.12 0.143 -0.066 3.4 0.133 0.123 0.76 .01-.03 .02 1.5 .47 .21 130.000 165 144 149 165 13.9 20375.757 52.46 7.55 0.147 -0.116 4.4 0.102 0.168 1.23 .02-.04 .03 .46 .29 .15 140.000 149 134 138 149 18.1 23406.754 63.81 8.10 0.143 -0.139 5.2 0.115 0.136 0.79-.00 .01 .03 .56 .32 .17 150.000 162 139 149 162 14.8 35367.436 66.55 7.96 0.144 -0.142 5.3 0.123 0.191 1.09-.04 .00 .03 .45 .28 .16 160.000 173 142 154 173 13.9 22667.586 60.76 7.73 0.196 -0.191 6.7 0.166 0.230 0.97-.03 .06 .05 .46 .31 .15 170.000 169 140 153 168 20.7 16746.062 51.39 7.58 0.258 -0.252 6.9 0.187 0.240 1.00 .00 .07 .03 .62 .34 .18 180.000 169 132 152 168 16.0 26201.356 71.57 8.35 0.154 -0.147 6.6 0.141 0.198 0.72 .03-.01 .03 .50 .30 .18 190.000 147 128 138 147 17.7 17021.563 49.30 7.64 0.190 -0.173 6.0 0.158 0.140 0.65 .05 .02 .04 .58 .32 .18 200.000 168 136 160 166 14.9 41741.910 69.78 8.39 0.168 -0.137 6.8 0.184 0.157 0.76 .19-.04 .01 .54 .34 .16 210.000 153 126 145 150 24.2 21442.459 55.45 8.69 0.136 -0.088 4.7 0.134 0.161 0.95 .20-.12 .03 .64 .38 .16 220.000 153 133 148 153 17.6 33948.641 75.51 8.88 0.148 -0.003 5.7 0.129 0.143 0.72 .37-.21 .02 .71 .45 .16 230.000 159 134 151 154 11.9 33844.325 73.42 9.85 0.105 0.028 5.1 0.098 0.127 0.71 .40-.20 .02 .74 .46 .17 240.000 159 129 143 157 14.5 32971.992 65.49 9.44 0.141 0.045 5.2 0.153 0.123 0.62 .42-.22 .01 .77 .50 .14 250.000 167 143 150 165 16.2 31823.312 67.90 10.38 0.163 0.111 7.2 0.151 0.150 0.82 .45-.14-.00 .74 .56 .13 260.000 194 154 163 194 17.5 28790.196 64.95 9.14 0.166 0.102 6.6 0.144 0.147 0.97 .41-.06-.02 .74 .43 .17 270.000 223 178 181 223 14.8 41783.218 71.34 9.23 0.128 0.085 6.1 0.113 0.157 0.94 .23 .03-.03 .82 .43 .20 280.000 381 300 303 381 16.5 19491.614 49.86 8.10 0.156 0.082 4.3 0.141 0.161 0.90 .14 .01-.03 1.3 .42 .18 290.000 556 455 460 556 19.6 14682.478 39.36 7.52 0.132 0.063 3.1 0.126 0.114 0.78 .03 .05-.01 1.6 .42 .23 300.000 472 417 425 471 21.2 12820.157 34.17 7.71 0.146 0.084 2.5 0.121 0.155 0.86-.02-.03 .00 1.6 .46 .22 310.000 451 385 402 445 20.8 14308.254 41.53 7.64 0.118 0.054 2.1 0.094 0.132 0.88 .25-.09-.01 1.8 .50 .24 320.000 417 336 356 409 22.3 12458.476 38.12 7.62 0.108 0.072 2.0 0.102 0.119 0.85 .13-.10 .02 1.9 .42 .25 330.000 402 325 346 400 25.1 22479.096 49.04 7.68 0.122 0.080 2.2 0.127 0.160 1.13 .05-.07 .02 1.8 .47 .26 340.000 411 342 367 408 26.8 8862.464 28.19 7.24 0.101 0.055 1.8 0.115 0.098 0.69 .03-.07 .03 2.1 .47 .26 350.000 399 315 358 396 27.6 8062.426 25.76 7.15 0.110 0.010 1.8 0.105 0.115 0.79 .21-.05-.00 2.0 .56 .23 360.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 596 438 485 590 17.4 22578.195 57.09 8.00 0.123 -0.018 4.2 0.097 0.137 0.93 .16-.13-.03 .58 .39 .15 0.990 577 484 533 568 20.6 12530.194 35.86 7.41 0.139 0.079 2.9 0.126 0.136 0.86 .07 .09-.02 1.8 .49 .26 1.980 559 445 473 558 25.6 6636.299 21.72 7.01 0.116 -0.049 1.8 0.096 0.110 0.74-.08-.03 .01 1.9 .44 .21 2.970 569 440 458 569 24.8 9204.648 28.49 6.92 0.081 0.024 1.7 0.080 0.092 0.73 .32-.17 .01 1.9 .53 .22 3.960 596 382 428 594 16.1 22608.595 56.41 7.36 0.142 -0.028 4.9 0.137 0.127 0.65 .11-.02 .05 .61 .31 .16 4.950 575 295 345 567 26.6 8590.462 27.40 7.24 0.089 0.056 1.6 0.089 0.085 0.54 .19-.01 .02 2.1 .49 .26 5.940 620 388 401 620 19.8 13494.855 34.53 7.28 0.153 0.005 3.5 0.163 0.117 0.60 .07 .01 .02 1.4 .43 .30 6.930 489 449 452 488 19.2 26315.897 61.87 8.79 0.183 -0.162 6.5 0.150 0.218 1.00 .20 .10 .02 .96 .38 .25 7.920 374 298 324 367 12.0 68646.038 90.55 13.34 0.134 0.063 6.6 0.118 0.201 1.10 .32-.04-.01 1.4 .40 .17 8.910 572 428 434 570 23.1 7896.723 25.87 7.37 0.133 0.114 2.2 0.129 0.094 0.71 .17 .31 .06 2.4 .72 .27 9.900 572 425 481 566 26.7 5784.390 20.36 7.00 0.084 -0.031 1.3 0.076 0.094 0.66 .12-.31 .01 2.0 .65 .26 10.890 599 463 469 599 17.0 14450.429 38.38 7.18 0.196 -0.069 4.8 0.201 0.118 0.61 .07-.06 .03 1.0 .48 .20 11.880 569 364 398 568 21.8 20323.164 54.27 8.21 0.113 -0.025 3.3 0.104 0.126 0.82 .25-.20 .05 .73 .51 .15 12.870 520 407 441 518 13.8 32323.995 67.89 8.91 0.159 0.091 6.0 0.151 0.155 0.89 .18 .01-.00 1.0 .39 .20 13.860 577 458 479 570 25.6 9058.515 25.46 7.84 0.172 0.082 2.6 0.161 0.134 0.86-.07-.47 .00 1.9 .79 .23 14.850 560 443 486 558 26.6 7065.086 24.06 7.01 0.110 -0.091 1.9 0.103 0.138 0.77-.02 .08-.00 2.0 .45 .23 15.840 598 525 577 598 22.7 7997.186 26.04 6.73 0.159 -0.125 2.8 0.157 0.122 0.60 .04-.11 .00 1.7 .43 .27 16.830 626 426 431 626 23.2 7226.308 23.06 6.83 0.133 -0.089 2.0 0.117 0.109 0.61 .19-.12 .01 1.7 .46 .25 17.820 577 386 392 577 24.1 8766.258 27.88 6.81 0.093 -0.030 1.7 0.087 0.104 0.64 .32-.12 .01 1.6 .44 .26 18.810 591 463 511 591 25.2 8716.599 28.25 7.31 0.160 0.051 2.8 0.160 0.104 0.64 .05-.15 .05 2.4 .66 .29 19.800 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 745 492 545 739 16.2 23312.896 57.24 8.03 0.134 0.025 4.6 0.110 0.132 0.90 .19-.08-.05 .58 .38 .16 2.000 710 531 581 701 23.9 7386.469 24.12 7.01 0.114 -0.059 1.9 0.101 0.132 0.76-.03 .02 .02 2.0 .51 .26 3.000 711 408 441 710 26.7 6853.246 21.68 7.07 0.081 0.026 1.4 0.078 0.099 0.77 .21-.14-.01 2.0 .52 .20 4.000 744 398 450 742 16.9 21189.345 54.56 7.25 0.135 -0.021 4.5 0.130 0.125 0.65 .09-.01 .05 .63 .31 .16 5.000 713 323 375 705 26.1 8364.494 26.85 7.13 0.107 0.008 1.9 0.107 0.090 0.54 .11-.02 .02 2.1 .48 .26 6.000 809 535 546 809 20.9 13134.309 33.88 7.18 0.140 0.009 3.1 0.144 0.117 0.63 .21 .07 .03 1.1 .42 .30 7.000 390 182 209 382 9.0 86918.455 104.06 15.11 0.155 -0.013 11.8 0.130 0.228 1.14 .31 .01-.02 .57 .31 .14 8.000 716 453 461 714 21.5 8223.096 25.81 7.53 0.131 0.111 2.3 0.121 0.100 0.75 .15 .24 .05 2.3 .68 .27 9.000 717 495 551 711 25.4 5760.329 20.35 6.93 0.097 -0.057 1.5 0.096 0.096 0.63 .16-.36 .00 2.0 .66 .26 10.000 765 395 410 765 19.7 18148.566 44.55 7.82 0.169 -0.024 4.7 0.171 0.114 0.65 .17-.08 .06 .72 .50 .17 11.000 646 360 418 644 13.8 33137.422 73.98 8.76 0.143 0.047 5.7 0.133 0.153 0.89 .19-.02 .02 .58 .33 .17 12.000 701 490 512 693 25.4 8547.940 24.34 7.76 0.168 0.086 2.4 0.159 0.129 0.86-.10-.37-.01 1.8 .75 .24 13.000 713 517 560 711 25.9 7042.169 24.16 6.91 0.139 -0.122 2.3 0.125 0.129 0.67 .02 .02-.01 2.0 .48 .24 14.000 772 562 618 772 22.8 7617.209 24.45 6.70 0.141 -0.112 2.4 0.135 0.119 0.66 .14-.12 .03 1.7 .45 .27 15.000 746 338 345 746 24.1 8385.598 26.56 6.91 0.104 -0.049 1.7 0.095 0.108 0.68 .21-.10 .01 1.5 .41 .25 16.000 718 507 555 718 24.4 8793.870 28.25 7.24 0.145 0.052 2.6 0.146 0.101 0.65 .09-.14 .03 2.3 .64 .28 17.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 904 293 358 894 97.8 80.925 0.53 7.41 0.606 -0.899 0.5 0.517 0.338 0.75 .13 .01 .04 3.4 .83 .27 0.100 354 242 275 348 78.0 2061.127 10.49 7.21 0.218 -0.154 1.2 0.199 0.131 0.58 .13-.01 .03 2.8 .79 .25 0.200 536 364 405 535 60.4 3677.015 16.18 7.24 0.171 -0.008 1.5 0.153 0.120 0.66-.01-.10 .04 2.6 .66 .26 0.300 728 500 537 721 39.1 6040.501 21.66 7.25 0.129 -0.019 1.8 0.122 0.120 0.75-.06-.10 .01 2.2 .64 .26 0.400 1065 655 693 1064 28.4 7268.377 24.00 7.20 0.125 -0.019 2.0 0.115 0.100 0.59 .00-.06 .03 1.8 .56 .28 0.500 1068 665 692 1065 16.2 8057.175 24.64 7.13 0.156 -0.040 2.5 0.143 0.117 0.70 .12-.08 .02 1.4 .51 .27 0.600 1602 806 852 1596 8.7 10129.955 28.39 7.15 0.124 0.002 2.5 0.121 0.115 0.72 .15-.09 .01 1.2 .44 .25 0.700 1449 781 823 1445 3.9 10889.252 30.09 7.17 0.139 -0.002 2.8 0.134 0.114 0.66 .17-.08 .01 .98 .42 .23 0.800 1699 886 934 1691 1.6 18940.900 45.01 7.46 0.124 0.027 3.7 0.118 0.115 0.75 .19-.09 .02 .72 .38 .21 0.900 1911 654 717 1903 0.1 42284.173 75.70 9.34 0.147 -0.001 7.2 0.131 0.167 0.91 .21-.05 .00 .45 .28 .15 1.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 10886 1617 1831 10846 21.7 15060.934 41.83 7.65 0.136 0.000 3.1 0.124 0.161 0.90 .11-.07 .02 1.6 .49 .23 0.050 86 69 71 85 20.9 11568.514 32.86 6.43 0.176 0.097 3.2 0.196 0.128 0.58-.10-.17-.00 2.3 .64 .25 0.100 54 47 48 54 35.2 8201.659 24.30 6.51 0.190 0.043 3.2 0.175 0.106 0.63 .02-.18-.01 2.7 .86 .25 0.150 33 29 32 33 24.2 10831.037 32.07 6.93 0.220 -0.057 4.3 0.231 0.143 0.79 .42 .07-.02 2.0 .90 .18 0.200 25 24 24 25 16.0 9891.471 29.48 6.50 0.256 -0.139 4.5 0.184 0.222 0.70-.02-.16-.00 1.2 .63 .16 0.250 45 38 43 41 17.8 14021.293 41.13 6.57 0.131 -0.033 4.0 0.127 0.189 0.86 .67-.18-.01 2.6 .65 .19 0.300 43 34 40 40 18.6 11591.799 27.97 6.65 0.391 -0.170 7.5 0.384 0.207 0.67 1.7-.01 .00 3.8 1.1 .27 0.350 35 28 30 34 25.7 10816.333 23.55 6.37 0.236 0.190 4.1 0.221 0.103 0.54 .28-.45-.05 4.1 1.4 .39 0.400 24 21 22 24 12.5 8580.531 22.55 6.34 0.287 0.080 4.8 0.305 0.115 0.49 1.2 .22 .02 3.4 .76 .27 0.450 29 26 29 27 24.1 15583.159 33.83 6.45 0.185 -0.027 4.4 0.167 0.093 0.59 1.4 .20-.10 3.8 .97 .26 0.500 19 15 18 18 47.4 4537.027 14.81 6.37 0.544 -0.287 4.0 0.566 0.282 0.81 2.6-.10-.02 4.6 .78 .19 0.550 37 28 32 35 35.1 7069.222 15.67 6.25 0.666 -0.178 9.1 0.621 0.144 0.40-.24 .03 .03 3.5 .89 .31 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 lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 597 441 476 596 44.9 10144.113 32.39 7.60 0.150 0.035 2.7 0.156 0.132 0.69 .06-.04 .04 1.5 .53 .29 0.050 418 325 356 416 36.1 18670.015 47.51 7.71 0.143 0.055 2.8 0.132 0.112 0.71 .07-.08 .05 1.2 .42 .27 0.100 361 292 311 361 21.3 26051.358 56.43 7.84 0.131 -0.025 4.0 0.119 0.134 0.85 .14-.02 .04 .98 .39 .22 0.150 297 243 262 296 16.5 16314.784 39.90 7.70 0.155 -0.005 4.3 0.148 0.130 0.71 .24-.04 .03 .88 .39 .22 0.200 224 180 194 223 10.7 18759.457 41.11 7.48 0.161 0.008 4.6 0.162 0.101 0.56 .32-.04 .01 .73 .33 .19 0.250 162 145 152 162 4.9 22933.035 44.46 7.52 0.166 -0.052 4.7 0.142 0.165 0.69 .16-.04-.00 .63 .32 .21 0.300 213 189 197 213 8.5 23516.834 50.28 7.55 0.149 -0.028 5.2 0.137 0.122 0.69 .11-.02-.04 .83 .37 .23 0.350 168 146 152 167 6.0 32590.688 61.71 8.02 0.114 0.008 4.6 0.120 0.172 1.01 .05-.05 .02 .57 .35 .21 0.400 272 211 219 269 7.7 33562.175 59.63 8.56 0.156 -0.036 6.0 0.127 0.177 1.00 .17-.11 .03 .56 .34 .21 0.450 3885 1055 1170 3860 22.9 8956.652 32.53 7.53 0.128 -0.009 2.3 0.115 0.148 0.84 .13-.10-.00 2.4 .65 .22 0.500 546 403 431 545 14.8 21444.538 50.61 7.80 0.131 -0.005 4.3 0.120 0.133 0.78 .19-.05 .01 .67 .34 .20 0.550 649 461 495 645 12.8 20302.008 47.50 7.81 0.138 0.014 4.1 0.125 0.147 0.86 .23-.07-.00 .96 .40 .21 0.600 501 369 390 500 11.8 18864.296 45.63 7.47 0.146 -0.034 3.8 0.134 0.158 0.62 .23-.06 .01 1.1 .44 .20 0.650 483 349 370 483 15.1 17920.600 41.75 7.55 0.140 0.016 3.6 0.131 0.131 0.62 .29-.08-.00 1.2 .48 .21 0.700 461 355 377 460 12.8 15960.785 40.60 7.51 0.148 -0.033 3.8 0.138 0.158 0.85 .20-.06 .00 1.1 .38 .22 0.750 324 273 287 322 12.3 17051.083 42.51 7.40 0.142 0.013 3.6 0.127 0.123 0.74 .05-.07 .03 .93 .37 .24 0.800 416 312 328 415 16.6 13326.234 35.04 7.24 0.127 0.028 2.9 0.120 0.115 0.76 .02-.08 .04 1.4 .46 .32 0.850 398 319 339 393 25.6 14930.244 40.67 7.64 0.139 0.004 3.2 0.125 0.121 0.75-.01-.05 .05 1.1 .43 .28 0.900 516 386 408 516 36.6 15056.323 41.47 7.71 0.140 0.055 2.6 0.135 0.137 0.78-.06-.03 .06 1.3 .45 .30 0.950 425 327 353 420 46.1 6925.423 24.68 7.43 0.161 0.044 2.1 0.134 0.185 0.83-.02-.02 .07 1.6 .49 .28 1.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8898 1418 1596 8857 27.1 4398.383 16.94 7.30 0.142 -0.032 1.8 0.132 0.127 0.70 .11-.06 .02 1.8 .52 .24 7453.697 1756 525 575 1746 3.0 25624.248 45.38 7.82 0.134 0.006 5.6 0.124 0.112 0.67 .20-.11-.01 1.2 .50 .24 14907.395 392 133 145 391 0.0 60325.631 78.16 9.16 0.145 0.010 11.4 0.137 0.126 0.68 .17-.11-.01 .50 .41 .21 29814.789 154 47 62 154 0.0 112349.73 122.71 11.31 0.138 0.010 17.4 0.135 0.173 0.93 .27-.08-.01 .44 .31 .13 59629.578 71 22 28 71 0.0 199613.49 177.09 13.41 0.138 0.028 25.5 0.115 0.184 1.09 .40-.08-.06 .55 .26 .14 119259.156 23 9 11 23 0.0 326897.40 171.92 17.31 0.145 -0.023 29.4 0.112 0.319 1.30 .25-.04 .01 .48 .17 .14 238518.312 7 5 5 7 0.0 448468.41 119.87 24.67 0.193 -0.019 27.8 0.195 0.309 1.27 .32-.08 .09 .57 .21 .13 477036.625 8 5 6 7 0.0 720803.62 123.64 30.92 0.182 -0.000 24.7 0.145 0.294 1.09 .53-.16 .09 .64 .23 .15 954073.250 3 3 3 3 0.0 1454332.0 74.23 49.54 0.148 0.046 12.2 0.150 0.195 0.94 .42-.14 .01 .50 .21 .06 1908146.5 4 1 2 3 0.0 2116750.0 104.09 34.48 0.087 0.026 8.5 0.071 0.100 0.90 .26-.05 .01 .41 .09 .09 3816293.0 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 5982 1301 1414 5969 23.3 8461.840 26.12 6.55 0.147 -0.067 2.5 0.141 0.122 0.64 .11-.05 .03 1.6 .53 .25 7.148 5151 1419 1591 5119 20.5 17351.439 47.57 8.29 0.137 0.031 3.6 0.123 0.137 0.85 .14-.09 .00 1.7 .49 .21 14.296 122 63 81 120 8.2 63716.313 117.08 16.86 0.136 0.066 10.4 0.116 0.247 1.58 .42-.10-.02 .59 .30 .14 21.445 22 15 18 19 9.1 241843.78 117.28 25.09 0.135 -0.060 19.3 0.122 0.221 1.18 .16-.06 .01 .52 .24 .13 28.593 17 10 14 13 11.8 608628.46 113.25 32.11 0.095 0.030 10.9 0.073 0.138 1.14 .34 .04 .04 .53 .28 .16 35.741 11 8 8 11 0.0 250720.46 97.82 39.05 0.203 -0.119 20.6 0.253 0.391 1.03 .27-.03 .07 .51 .14 .14 42.889 3 3 3 3 0.0 30328.099 140.25 46.02 0.222 0.222 12.9 0.122 0.305 1.78 .35-.12 .02 .46 .19 .12 50.037 3 3 3 3 33.3 331687.17 72.11 56.22 0.270 0.270 14.9 0.184 0.263 0.99 .13-.37-.07 .53 .38 .11 57.186 4 4 4 4 50.0 6701.114 47.65 59.63 0.151 0.150 5.4 0.281 0.300 1.07-.30 .26-.06 .97 .40 .18 64.334 1 1 1 1 0.0 1202000.0 65.94 71.48 0.132 0.132 8.7 0.000 0.264 0.00 .40-.13-.04 .40 .13 .04 71.482 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1036 499 540 1033 62.8 869.240 5.18 7.26 0.271 -0.121 1.2 0.257 0.209 0.91-3.0-.03 .22 3.5 .79 .30 -1.380 99 83 92 96 44.4 2695.608 13.35 7.26 0.217 0.037 1.5 0.173 0.171 0.96-1.3-.05 .14 1.3 .65 .24 -1.260 95 86 92 95 46.3 1709.888 9.11 7.35 0.171 -0.052 1.3 0.166 0.182 0.97-1.2-.03 .13 1.2 .52 .23 -1.140 135 119 128 133 35.6 2420.192 11.40 7.12 0.158 -0.002 1.3 0.142 0.143 0.78-1.1-.03 .13 1.1 .54 .25 -1.020 138 122 133 137 34.1 2669.539 12.81 7.18 0.152 0.029 1.3 0.135 0.157 1.05-.96-.16 .11 .96 .54 .23 -0.900 146 124 133 146 30.1 2750.770 12.24 7.19 0.152 -0.057 1.5 0.145 0.117 0.68-.84-.05 .12 .85 .42 .25 -0.780 167 142 152 166 26.9 3330.122 13.72 7.25 0.143 -0.010 1.5 0.122 0.126 0.81-.72-.09 .10 .72 .49 .26 -0.660 220 189 199 220 25.5 5138.624 18.99 7.32 0.139 0.002 1.9 0.133 0.122 0.70-.59-.05 .06 .60 .45 .22 -0.540 236 196 212 233 20.3 8630.275 28.06 7.69 0.151 -0.054 2.8 0.160 0.123 0.72-.48-.05 .08 .48 .41 .23 -0.420 370 302 315 368 14.9 10702.637 32.35 7.40 0.147 -0.065 2.9 0.144 0.119 0.68-.36-.05 .06 .36 .44 .24 -0.300 523 401 422 522 12.2 16750.671 40.65 7.46 0.130 -0.059 3.4 0.139 0.134 0.87-.24-.07 .05 .24 .35 .26 -0.180 749 529 554 747 5.2 20127.826 45.57 7.67 0.159 -0.077 4.6 0.131 0.183 0.95-.12-.04 .02 .12 .33 .23 -0.060 1271 724 754 1269 5.3 20889.304 46.27 7.50 0.148 -0.067 4.8 0.133 0.154 0.74 .00-.05 .03 .04 .29 .23 0.060 1007 637 666 1006 5.2 22036.836 47.03 7.53 0.136 -0.046 4.6 0.127 0.152 0.83 .12-.06 .03 .13 .33 .22 0.180 824 557 580 820 6.6 20076.552 45.31 7.67 0.136 -0.000 4.1 0.126 0.104 0.59 .24-.05-.00 .24 .34 .21 0.300 760 548 577 757 7.2 20288.675 45.64 7.87 0.116 0.040 3.5 0.116 0.136 0.78 .36-.08-.01 .36 .34 .22 0.420 651 478 526 649 7.7 24497.019 52.01 7.96 0.108 0.034 3.6 0.104 0.150 0.89 .48-.12-.02 .48 .35 .23 0.540 466 387 403 464 12.2 25866.886 52.94 8.17 0.139 0.098 3.6 0.119 0.137 0.89 .60-.12-.03 .60 .41 .22 0.660 401 327 344 400 12.5 23388.777 54.61 8.63 0.163 0.129 4.1 0.129 0.171 1.00 .72-.18-.03 .72 .47 .21 0.780 274 235 247 274 18.2 27672.992 65.27 8.36 0.142 0.099 4.0 0.133 0.134 0.80 .84-.19-.03 .84 .52 .18 0.900 188 164 175 187 18.6 14063.759 42.25 7.75 0.163 0.133 3.2 0.137 0.121 0.95 .96-.09-.04 .96 .44 .22 1.020 206 170 185 205 29.1 16117.825 51.79 7.85 0.122 0.060 2.4 0.136 0.172 1.08 1.1-.08-.07 1.1 .51 .20 1.140 136 120 130 136 28.7 10124.913 37.88 7.88 0.139 0.069 2.5 0.142 0.080 0.56 1.2-.04-.06 1.2 .57 .18 1.260 101 91 95 100 44.6 4033.512 18.36 7.26 0.154 0.112 1.6 0.136 0.102 0.74 1.3-.07-.09 1.3 .52 .22 1.380 1117 492 560 1099 59.8 1027.583 6.31 7.24 0.203 -0.015 0.9 0.186 0.168 0.87 3.2-.06-.18 3.7 .90 .25 1.500 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 168 125 139 168 60.1 7236.539 30.28 7.41 0.209 0.187 2.5 0.183 0.127 0.83 .77-1.8-.02 4.7 1.9 .25 -1.380 45 37 42 44 42.2 7391.947 26.22 7.89 0.178 0.156 2.4 0.141 0.112 0.66 .72-1.3 .01 3.4 1.3 .33 -1.260 75 66 72 75 44.0 8699.361 31.13 7.59 0.227 0.195 2.9 0.205 0.087 0.48-.08-1.2 .03 2.7 1.2 .25 -1.140 84 72 81 84 40.5 6702.894 24.65 7.50 0.181 0.097 2.1 0.159 0.110 0.69 .09-1.1 .04 2.9 1.1 .26 -1.020 127 112 119 126 37.8 5677.055 23.78 7.32 0.115 0.039 1.8 0.111 0.103 0.73 .13-.96 .00 2.7 .96 .22 -0.900 176 160 162 175 34.7 6062.156 22.06 7.43 0.159 0.056 2.2 0.148 0.113 0.65 .29-.84-.01 2.6 .84 .24 -0.780 263 225 238 259 26.6 9134.326 30.86 7.52 0.126 0.013 2.0 0.110 0.107 0.64 .30-.71-.00 2.0 .72 .23 -0.660 407 328 355 404 27.0 10439.308 33.54 7.65 0.100 -0.024 2.1 0.103 0.108 0.69 .28-.59-.01 1.6 .59 .23 -0.540 582 447 490 577 22.9 12172.118 35.50 7.74 0.125 0.054 2.4 0.103 0.130 0.88 .27-.48 .00 1.5 .48 .24 -0.420 830 589 638 824 18.8 16647.208 45.43 7.74 0.143 0.030 2.9 0.129 0.169 0.94 .15-.36 .02 1.4 .36 .22 -0.300 1237 808 857 1233 14.2 14581.867 39.37 7.49 0.125 -0.015 3.0 0.116 0.138 0.85 .10-.23 .03 1.1 .24 .24 -0.180 1639 957 1028 1633 11.4 20802.374 47.87 7.72 0.115 -0.011 3.2 0.103 0.169 0.89 .10-.12 .01 .96 .12 .23 -0.060 1904 1005 1067 1897 11.1 22439.517 50.21 7.72 0.131 -0.011 3.8 0.124 0.148 0.84 .06-.00 .02 .98 .04 .23 0.060 1244 810 853 1241 15.5 15446.874 40.87 7.65 0.174 -0.005 4.3 0.150 0.168 0.84 .06 .12 .02 1.2 .12 .24 0.180 826 603 641 824 20.9 12464.701 37.28 7.65 0.163 0.002 3.8 0.152 0.126 0.71 .04 .24 .02 1.4 .24 .22 0.300 549 419 449 544 26.6 12007.376 38.24 7.32 0.218 -0.055 4.2 0.192 0.127 0.73-.05 .35 .03 1.6 .36 .25 0.420 300 248 264 298 42.3 8165.318 31.56 7.49 0.147 0.054 2.3 0.124 0.141 1.07 .06 .47 .02 2.0 .48 .24 0.540 209 180 190 208 52.2 3675.552 16.77 7.52 0.148 -0.012 1.7 0.144 0.117 0.89 .16 .59 .03 2.1 .59 .27 0.660 162 138 149 161 52.5 4396.943 19.32 7.24 0.163 0.050 1.6 0.170 0.149 1.04 .19 .72 .01 2.0 .72 .21 0.780 125 103 115 124 47.2 4182.873 17.83 7.53 0.192 0.066 2.0 0.186 0.102 0.64 .09 .84 .04 2.3 .84 .26 0.900 100 92 95 100 51.0 5099.245 21.90 7.43 0.170 0.148 1.9 0.150 0.089 0.72 .03 .96-.01 2.9 .96 .24 1.020 78 72 75 77 47.4 2540.999 12.33 7.48 0.163 0.059 1.6 0.140 0.117 0.67 .01 1.1 .02 3.2 1.1 .25 1.140 35 30 34 35 77.1 4801.983 22.22 7.11 0.149 0.101 1.5 0.119 0.140 1.14 1.1 1.2-.06 3.0 1.2 .23 1.260 33 32 33 33 63.6 1527.606 9.14 7.02 0.150 0.067 1.0 0.109 0.132 1.06-.31 1.3 .13 3.2 1.3 .37 1.380 118 97 102 118 84.7 542.945 4.06 6.74 0.246 0.029 0.8 0.206 0.177 0.71 1.2 1.9-.04 5.1 2.0 .26 1.500 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 2 2 2 2100.0 -9.952 -0.04 6.56 1.174 -5.270 0.3 0.772 1.248 1.41 3.4 .57-1.5 3.8 .58 1.5 -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 1100.0 173.335 0.80 5.97 1.261 -1.261 1.0 0.903 0.953 1.06 .49-.24-1.2 .49 .24 1.2 -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 2 2 2 2 0.0 6982.100 16.61 6.74 0.075 -0.023 1.2 0.027 0.107 0.86 .01-.07-.93 .14 .07 .94 -0.900 17 17 17 17 17.6 7451.228 20.50 6.57 0.147 -0.058 2.2 0.127 0.068 0.40 .63-.11-.83 1.4 .33 .83 -0.780 32 30 31 32 12.5 16539.550 32.49 6.61 0.147 -0.005 3.8 0.159 0.101 0.52 .39-.17-.72 .85 .36 .72 -0.660 53 47 51 53 11.3 21237.912 37.42 7.07 0.145 0.006 4.1 0.152 0.097 0.50-.03-.09-.60 .74 .30 .60 -0.540 115 92 102 112 14.8 21801.891 45.31 7.45 0.175 0.047 5.8 0.171 0.120 0.60 1.4-.10-.46 3.3 .69 .46 -0.420 577 406 441 573 19.2 11024.455 32.54 7.56 0.141 -0.000 3.0 0.126 0.116 0.70 1.9-.12-.35 3.1 .76 .35 -0.300 1263 744 800 1259 19.2 12966.465 36.86 7.47 0.130 0.007 2.8 0.112 0.146 0.88 1.1-.08-.23 2.0 .65 .24 -0.180 1441 862 930 1431 24.1 12474.581 37.83 7.62 0.133 -0.002 2.7 0.119 0.145 0.84 .66-.08-.12 1.4 .48 .12 -0.060 4222 1367 1518 4199 20.8 18966.521 48.31 7.82 0.142 0.013 3.8 0.129 0.151 0.85 .16-.05-.00 .88 .39 .02 0.060 1334 836 888 1328 24.3 14150.617 41.44 7.61 0.129 -0.024 2.5 0.131 0.144 0.87-.47-.10 .12 1.3 .49 .12 0.180 1096 719 762 1093 22.4 12478.979 37.16 7.42 0.139 -0.034 2.6 0.123 0.165 0.82-.00-.09 .23 2.0 .59 .23 0.300 522 397 418 521 23.2 7843.611 28.25 7.55 0.158 -0.043 3.0 0.155 0.111 0.56-1.6-.07 .35 2.9 .64 .36 0.420 273 222 229 273 19.0 10701.325 29.82 7.04 0.171 -0.017 3.5 0.164 0.105 0.58-.62-.01 .48 2.2 .49 .48 0.540 215 169 176 215 21.4 12432.432 31.77 6.96 0.119 0.011 2.6 0.115 0.093 0.57-.22-.02 .59 .98 .42 .59 0.660 97 83 89 97 32.0 10753.558 28.92 6.81 0.127 -0.088 2.3 0.115 0.169 0.92-.28-.03 .71 .94 .35 .71 0.780 35 30 35 35 51.4 3676.929 13.99 6.77 0.275 -0.229 2.6 0.258 0.097 0.31-.26-.13 .83 1.4 .41 .83 0.900 8 7 8 8 87.5 173.713 0.88 6.47 2.085 -1.805 1.4 1.942 0.901 0.81-1.2-.01 .95 1.4 .43 .95 1.020 6 3 5 6100.0 47.949 0.27 7.18 0.633 0.204 0.2 0.617 0.314 0.32-1.1-.03 1.1 1.8 .32 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 5 3 5 5100.0 18.637 0.10 6.31 0.890 -3.532 0.6 0.764 0.474 0.75-3.4 .18 1.3 3.8 .86 1.3 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 lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 54 0 54 0 38.9 43667.023 96.10 10.93 0.000 0.000 0.0 0.000 0.000 0.00 1.2-.13-.05 3.3 .49 .18 1.000 322 85 161 322 31.4 28242.498 76.55 10.69 0.133 0.000 3.6 0.000 0.381 0.00 .37-.11 .01 2.4 .52 .21 2.000 660 171 220 660 29.5 27069.245 67.50 9.20 0.162 0.000 4.1 0.146 0.280 1.27 .21-.11 .00 2.0 .57 .21 3.000 1180 267 295 1180 20.7 26436.193 61.72 8.35 0.115 0.000 3.5 0.108 0.128 0.94 .20-.08-.00 1.8 .52 .21 4.000 1120 216 224 1120 20.3 18801.007 49.50 7.64 0.136 -0.000 4.0 0.108 0.136 1.07 .09-.05 .03 1.6 .47 .21 5.000 1140 185 190 1140 19.6 15757.884 44.74 7.74 0.161 -0.000 4.0 0.146 0.134 0.72 .10-.08 .01 1.5 .48 .22 6.000 1015 141 145 1015 26.0 7771.443 26.86 7.46 0.129 0.000 2.3 0.116 0.120 0.84 .16-.07 .01 2.1 .60 .22 7.000 1096 135 137 1096 25.5 11628.331 34.65 7.23 0.147 0.000 3.0 0.130 0.129 0.77 .06-.08 .02 1.6 .55 .23 8.000 1107 121 123 1107 18.0 9382.374 27.53 7.14 0.143 0.000 2.7 0.137 0.090 0.51 .16-.09 .03 1.5 .51 .26 9.000 3622 303 303 3622 19.7 10479.519 29.14 6.99 0.141 0.000 2.8 0.137 0.060 0.35 .07-.05 .02 1.4 .47 .26 10.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 11316 1624 1852 11262 21.8 14891.252 41.29 7.61 0.139 0.000 3.2 0.128 0.162 0.90 .13-.07 .02 1.7 .51 .24 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 lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 883 160 200 873 11.2 66514.291 102.80 12.58 0.141 0.000 9.3 0.115 0.220 1.25 .21-.01 .00 .50 .28 .14 1.716 991 169 193 987 14.4 22327.797 58.43 7.83 0.136 0.000 4.5 0.138 0.095 0.52 .17-.04 .02 .54 .34 .17 1.362 894 158 179 892 17.2 17488.934 42.95 7.28 0.137 -0.000 3.6 0.136 0.098 0.56 .17-.07 .01 .71 .35 .22 1.190 1266 176 197 1264 21.6 13303.996 31.60 6.76 0.177 0.000 3.6 0.175 0.140 0.59-.04-.06 .03 1.0 .41 .28 1.081 1690 172 185 1690 23.4 12176.065 29.27 6.64 0.137 -0.000 2.7 0.131 0.104 0.66 .07-.05 .07 1.0 .42 .32 1.004 1557 178 192 1557 21.9 8427.538 23.62 6.92 0.134 0.000 2.2 0.123 0.103 0.68 .11-.08 .02 1.2 .46 .24 0.945 1204 158 169 1204 22.4 8153.911 25.45 7.43 0.106 0.000 1.8 0.095 0.108 0.91 .10-.05-.01 1.6 .54 .21 0.897 1323 177 199 1321 29.6 4490.987 18.66 7.71 0.116 0.000 1.6 0.110 0.119 0.83 .11-.09-.01 2.4 .66 .22 0.858 942 160 181 935 27.6 4198.031 21.78 7.39 0.145 0.000 2.0 0.117 0.185 1.36 .19-.12-.01 2.9 .75 .22 0.825 566 116 157 539 24.7 3109.213 19.52 7.12 0.125 -0.000 1.9 0.119 0.139 0.94 .49-.17-.01 3.5 .79 .20 0.797 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6641 1034 1197 6596 37.1 1372.146 7.00 7.36 0.180 -0.043 1.1 0.164 0.185 0.82 .10-.05 .02 2.1 .59 .23 5486.328 1505 317 339 1500 0.0 8035.158 22.08 7.42 0.127 -0.034 3.0 0.115 0.139 0.78 .15-.09 .00 .55 .37 .24 10972.656 1296 295 305 1296 0.0 15672.225 33.39 7.64 0.135 -0.022 4.5 0.125 0.127 0.69 .15-.10-.00 .50 .38 .24 21945.312 1134 237 253 1133 0.0 30788.828 48.71 7.65 0.136 -0.005 6.7 0.126 0.125 0.70 .14-.08 .01 .40 .37 .25 43890.625 463 125 134 463 0.0 60756.433 72.79 8.65 0.141 0.003 10.8 0.129 0.150 0.78 .21-.10 .00 .40 .37 .22 87781.250 177 50 61 176 0.0 116517.24 114.27 10.18 0.142 0.034 16.6 0.139 0.162 0.84 .31-.07-.00 .47 .33 .17 175562.500 69 19 28 69 0.0 246011.03 159.61 12.04 0.149 -0.001 25.6 0.120 0.252 1.19 .37-.11-.03 .55 .28 .14 351125.000 20 8 10 20 0.0 491622.25 126.92 19.40 0.148 0.019 22.3 0.146 0.280 1.19 .39-.12-.02 .56 .20 .16 702250.000 7 3 5 5 0.0 984478.14 116.86 39.00 0.168 0.069 25.1 0.129 0.251 0.91 .58-.13 .04 .66 .19 .12 1404500.0 4 1 1 4 0.0 2406500.0 98.22 32.09 0.090 0.000 8.5 0.089 0.100 0.90 .22-.04 .00 .39 .09 .08 2809000.0 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2315 402 501 2294100.0 74.156 0.49 7.34 0.680 -0.289 0.5 0.596 0.652 0.88 .10-.00 .04 3.1 .79 .26 1.747 656 231 248 652 23.2 392.421 2.36 7.41 0.418 -0.172 0.8 0.411 0.329 0.61 .12-.03 .01 2.2 .60 .22 3.053 758 257 285 752 0.0 737.796 4.17 7.38 0.297 -0.112 1.2 0.276 0.271 0.65 .12-.06 .01 1.6 .47 .22 5.335 1211 328 347 1206 0.0 1625.511 7.59 7.37 0.194 -0.030 1.4 0.178 0.198 0.80 .04-.10 .02 1.2 .40 .23 9.322 1470 359 383 1463 0.0 3677.778 12.83 7.27 0.143 -0.028 1.8 0.132 0.150 0.77 .15-.10 .01 .80 .39 .23 16.289 1840 377 406 1836 0.0 8178.748 22.21 7.19 0.132 -0.026 2.8 0.123 0.120 0.69 .14-.10 .01 .61 .39 .24 28.462 1809 354 375 1805 0.0 20181.999 38.87 7.59 0.136 -0.013 5.1 0.126 0.117 0.66 .14-.10 .01 .48 .37 .24 49.732 892 198 216 891 0.0 52146.347 63.62 8.52 0.141 0.012 8.5 0.133 0.158 0.82 .18-.09 .00 .49 .39 .22 86.899 262 62 77 261 0.0 130080.31 110.15 10.87 0.122 0.012 15.5 0.116 0.137 0.89 .26-.04-.01 .44 .30 .15 151.841 103 30 40 102 0.0 271771.94 188.67 15.75 0.151 0.009 27.9 0.118 0.243 1.22 .36-.07-.03 .55 .24 .14 265.317 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1292 723 762 1292 4.8 17873.039 42.66 7.46 0.015 0.001 0.4 0.042 0.114 0.82 .12-.11 .02 .93 .40 .23 0.030 1265 720 762 1265 6.0 18401.513 44.97 7.50 0.044 0.001 1.3 0.054 0.118 0.87 .14-.12 .02 .00 .39 .23 0.060 1107 730 754 1107 6.3 16510.988 42.01 7.53 0.075 0.010 2.1 0.070 0.128 0.90 .17-.10 .00 1.1 .40 .24 0.090 1045 686 718 1045 6.8 19525.638 45.69 7.60 0.104 -0.008 2.8 0.095 0.130 0.85 .18-.09 .00 1.1 .42 .23 0.120 899 626 655 899 7.6 22707.196 51.44 7.90 0.135 0.055 3.7 0.110 0.129 0.79 .21-.07 .01 1.1 .43 .23 0.150 782 551 582 782 7.2 20353.169 49.49 7.75 0.166 0.022 4.6 0.142 0.161 0.81 .17-.06 .01 1.0 .44 .22 0.180 650 500 517 650 8.8 15841.942 41.20 7.83 0.194 0.074 5.0 0.155 0.142 0.84 .21-.07 .00 1.4 .47 .23 0.210 538 428 447 538 10.8 17000.807 43.30 7.93 0.224 0.017 5.6 0.202 0.148 0.69 .18-.07-.00 1.3 .49 .22 0.240 421 339 357 421 14.5 18421.951 45.66 7.98 0.256 0.050 6.2 0.223 0.153 0.70 .27-.10-.01 1.5 .52 .22 0.270 356 299 309 356 17.7 11499.779 33.58 7.77 0.285 -0.002 5.2 0.248 0.174 0.64 .10-.12 .00 1.5 .51 .23 0.300 284 238 245 284 21.1 17147.289 45.27 7.62 0.314 -0.039 6.2 0.257 0.263 0.99 .25-.09 .00 1.4 .48 .23 0.330 227 202 210 227 22.9 9559.571 30.57 7.68 0.344 -0.013 5.7 0.323 0.128 0.49 .07-.14 .01 1.9 .62 .22 0.360 191 170 176 191 24.6 7700.819 27.70 7.33 0.373 -0.207 5.2 0.312 0.194 0.75 .12-.00-.01 2.0 .56 .22 0.390 147 128 133 147 32.7 7142.134 26.77 7.44 0.404 -0.119 5.2 0.351 0.324 0.68-.11-.05 .01 1.9 .59 .24 0.420 112 99 107 112 42.0 4489.201 19.27 7.61 0.431 -0.413 4.1 0.442 0.142 0.35-.11-.00 .01 2.0 .60 .23 0.450 107 93 98 107 47.7 6019.092 24.22 7.65 0.460 -0.310 4.9 0.408 0.352 1.39 .23-.07-.00 2.1 .56 .24 0.480 99 86 94 99 45.5 9522.658 37.77 7.15 0.497 -0.450 6.1 0.470 0.325 0.67-.18 .10 .06 2.0 .59 .26 0.510 89 83 87 89 61.8 2800.400 13.75 7.44 0.525 -0.466 3.4 0.424 0.301 0.76-.05 .06 .06 2.3 .55 .26 0.540 78 72 76 78 64.1 2217.415 12.22 7.58 0.555 -0.261 4.5 0.575 0.351 0.70-.16-.02 .07 2.6 .50 .22 0.570 1573 528 600 1573 85.8 892.541 5.31 7.25 0.866 -0.843 2.2 0.772 0.348 0.62-.05 .03 .06 3.1 .78 .28 0.600 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_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 1309 623 698 1309 74.7 2099.613 11.39 7.26 0.687 -0.703 3.5 0.633 0.356 0.70-.05 .02 .06 2.9 .73 .27 -0.460 95 88 91 95 26.3 9419.889 32.23 7.01 0.442 -0.442 7.5 0.435 0.275 0.84-.49-.01 .05 1.6 .46 .25 -0.420 116 106 108 116 22.4 9622.359 33.01 7.15 0.397 -0.397 6.7 0.363 0.299 0.51-.04 .04-.00 1.8 .53 .23 -0.380 153 144 148 153 18.3 9423.459 32.99 7.67 0.359 -0.359 6.8 0.285 0.247 0.86-.03-.03 .01 1.4 .43 .23 -0.340 213 193 197 213 19.2 14605.862 40.29 7.33 0.317 -0.317 6.3 0.255 0.295 0.99 .09-.07 .00 1.5 .41 .20 -0.300 232 211 216 232 12.9 13397.954 39.11 7.25 0.279 -0.279 6.4 0.259 0.207 0.73-.01-.14 .02 1.2 .49 .23 -0.260 324 276 290 324 10.8 14702.432 38.94 7.22 0.239 -0.239 5.4 0.214 0.147 0.64 .20-.08 .01 1.3 .42 .24 -0.220 366 313 326 366 9.3 12848.696 35.98 7.17 0.201 -0.201 4.9 0.175 0.126 0.57 .04-.06 .02 1.4 .46 .21 -0.180 496 389 407 496 6.2 17135.427 43.41 7.36 0.163 -0.163 4.3 0.147 0.195 0.79 .17-.11 .01 1.1 .40 .23 -0.140 594 460 475 594 7.1 19241.260 45.72 7.30 0.116 -0.116 3.1 0.117 0.145 0.83 .11-.10 .03 1.0 .40 .24 -0.100 690 520 536 690 6.4 17561.251 43.05 7.35 0.082 -0.082 2.1 0.077 0.123 0.79 .16-.11 .01 1.1 .44 .24 -0.060 852 563 598 852 5.5 17948.061 44.51 7.40 0.039 -0.039 1.1 0.057 0.121 0.88 .13-.13 .02 .91 .37 .23 -0.020 842 563 590 842 5.2 18963.210 44.69 7.51 0.010 0.002 0.3 0.039 0.109 0.80 .10-.09 .03 .92 .40 .23 0.020 863 571 606 863 5.4 17509.977 42.21 7.53 0.040 0.040 1.1 0.049 0.105 0.82 .15-.12 .01 1.0 .40 .22 0.060 774 561 586 774 6.2 17739.049 44.30 7.71 0.080 0.080 2.3 0.064 0.127 1.06 .17-.08-.01 1.0 .38 .23 0.100 705 549 580 705 8.2 20141.478 48.01 8.17 0.122 0.122 3.4 0.094 0.126 0.80 .23-.04-.00 1.1 .42 .21 0.140 574 457 479 574 7.3 26195.808 56.29 8.09 0.156 0.156 4.6 0.127 0.109 0.82 .22-.03 .00 1.1 .47 .21 0.180 482 399 411 482 9.3 18262.080 44.93 8.29 0.198 0.198 5.3 0.161 0.131 0.83 .36-.06-.01 1.3 .50 .22 0.220 320 275 287 320 15.0 18282.023 47.02 8.55 0.238 0.238 5.9 0.205 0.149 0.75 .24-.11-.02 1.5 .55 .22 0.260 241 209 218 241 19.5 16872.005 40.61 8.72 0.276 0.276 5.0 0.230 0.165 0.70 .21-.09-.02 1.6 .53 .22 0.300 160 141 148 160 22.5 16874.149 44.75 7.87 0.318 0.318 5.7 0.280 0.158 0.73 .55-.18-.01 1.8 .69 .24 0.340 117 103 107 117 34.2 6038.629 21.58 7.66 0.354 0.354 3.5 0.338 0.075 0.37 .06-.11 .01 2.2 .67 .24 0.380 90 83 88 90 40.0 5390.978 21.01 7.56 0.399 0.399 3.4 0.348 0.125 0.59-.15-.09 .00 2.2 .67 .24 0.420 60 52 58 60 70.0 469.829 2.84 8.15 0.447 0.447 0.9 0.358 0.267 0.85 .20-.03-.03 2.6 .73 .23 0.460 594 245 291 594 92.9 411.220 2.56 7.38 0.563 0.565 0.8 0.489 0.193 0.60 .01 .04 .05 3.0 .79 .26 0.500 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_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 4996 1259 1377 4996 44.3 3414.306 15.04 7.29 0.030 -0.001 0.4 0.053 0.112 0.79 .14-.06 .02 2.2 .61 .24 1.000 2085 978 1028 2085 10.2 8290.261 26.53 7.37 0.055 0.005 1.4 0.059 0.110 0.80 .09-.08 .01 1.3 .42 .24 2.000 1046 648 672 1046 1.2 12300.753 32.94 7.48 0.075 0.002 2.5 0.081 0.108 0.74 .13-.09 .02 .94 .39 .23 3.000 679 448 467 679 0.4 13693.695 34.04 7.58 0.102 -0.001 3.5 0.097 0.116 0.80 .08-.08 .01 .99 .43 .24 4.000 490 343 356 490 0.0 18273.841 40.23 7.60 0.112 -0.002 4.5 0.099 0.112 0.76 .11-.10 .02 .92 .42 .24 5.000 371 266 282 371 0.0 24812.731 50.08 7.81 0.110 -0.001 5.5 0.111 0.112 0.71 .08-.13 .01 .69 .41 .22 6.000 280 202 206 280 0.0 27909.874 50.65 7.83 0.127 0.007 6.5 0.118 0.131 0.83 .11-.07-.01 .67 .37 .24 7.000 204 159 165 204 0.0 26893.259 50.12 7.91 0.150 -0.002 7.5 0.140 0.105 0.64 .16-.06 .00 .59 .38 .25 8.000 180 148 155 180 0.6 49848.121 61.87 8.33 0.137 -0.008 8.5 0.144 0.139 0.75 .02-.03 .00 .88 .39 .24 9.000 140 109 120 140 0.7 60378.525 70.94 8.93 0.133 -0.029 9.4 0.149 0.141 0.73 .21-.11-.01 .45 .41 .22 10.000 106 83 89 106 0.0 35155.087 56.35 8.08 0.186 -0.017 10.5 0.172 0.126 0.69 .05-.07 .03 .66 .40 .23 11.000 107 87 92 107 0.0 45079.468 59.42 9.03 0.193 0.009 11.5 0.197 0.135 0.72 .23-.11 .03 .52 .46 .23 12.000 71 65 67 71 0.0 46197.534 66.16 8.52 0.189 0.037 12.5 0.168 0.149 0.96 .16-.06-.05 .69 .36 .21 13.000 67 58 59 67 0.0 44265.194 61.83 7.92 0.218 0.037 13.5 0.201 0.107 0.53 .20-.07 .01 .56 .53 .24 14.000 49 41 44 49 0.0 103970.62 87.14 9.66 0.166 0.068 14.5 0.143 0.105 0.78 .09-.04 .02 .71 .39 .24 15.000 47 44 45 47 0.0 61921.096 73.62 8.16 0.210 0.007 15.5 0.174 0.136 0.66 .14-.08 .03 .56 .53 .18 16.000 39 36 39 39 0.0 56081.974 76.85 8.49 0.215 0.035 16.5 0.186 0.149 0.77 .24-.05-.04 .55 .41 .20 17.000 30 27 28 30 0.0 84922.463 77.88 10.14 0.224 -0.055 17.5 0.183 0.193 0.76 .21-.10-.02 .59 .46 .24 18.000 21 20 20 21 0.0 68881.000 93.28 9.03 0.199 -0.018 18.6 0.188 0.204 1.09 .03-.01 .01 .79 .35 .21 19.000 24 21 22 24 0.0 149286.56 103.79 11.40 0.188 0.098 19.6 0.129 0.177 0.95 .15-.04-.04 .72 .27 .19 20.000 24 21 21 24 0.0 77969.517 92.34 8.83 0.221 -0.036 20.4 0.244 0.224 0.83 .28 .00-.03 .75 .30 .25 21.000 20 17 18 20 0.0 80862.855 100.16 10.02 0.214 0.057 21.5 0.202 0.138 0.73 .25-.01 .03 .73 .42 .21 22.000 13 10 10 13 0.0 92348.377 96.42 9.10 0.233 -0.059 22.5 0.216 0.097 0.42 .13-.00 .04 .27 .20 .13 23.000 11 10 10 11 0.0 121375.68 117.75 9.80 0.199 -0.010 23.4 0.234 0.166 0.80 .14 .16-.01 .28 .24 .09 24.000 162 79 88 162 0.0 136841.58 139.32 12.12 0.269 -0.026 37.5 0.225 0.251 1.07 .18 .00-.00 .64 .30 .19 25.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 11316 1624 1852 11262 21.8 14891.252 41.29 7.61 0.139 0.000 3.2 0.128 0.162 0.90 .13-.07 .02 1.7 .51 .24 1.000 Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 669 71 181 651 55.8 19717.154 59.64 8.30 0.139 -0.000 3.0 0.086 0.282 2.93 .09-.03 .03 2.2 .59 .26 1.000 Coverage Statistics Integration of lobo002 ...1.1(1): component 1 in sample 1 (component 1 in cu_lobo002_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.716 200 200 100.00 4.42 0.141 160 80.00 0.141 102.80 11.2 to 1.362 393 393 100.00 4.77 0.140 329 83.72 0.136 58.43 14.4 to 1.190 572 572 100.00 4.84 0.139 487 85.14 0.137 42.95 17.2 to 1.081 769 769 100.00 5.25 0.145 663 86.22 0.177 31.60 21.6 to 1.004 954 954 100.00 6.00 0.144 835 87.53 0.137 29.27 23.4 to 0.945 1146 1146 100.00 6.35 0.143 1013 88.39 0.134 23.62 21.9 to 0.897 1315 1315 100.00 6.45 0.140 1171 89.05 0.106 25.45 22.4 to 0.858 1514 1514 100.00 6.48 0.139 1348 89.04 0.116 18.66 29.6 to 0.825 1695 1695 100.00 6.34 0.140 1508 88.97 0.145 21.78 27.6 to 0.797 1852 1871 98.98 6.11 0.139 1624 86.80 0.125 19.52 24.7 Local LS refinement averages ============== 02/28/2020 11:36:41 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: 16 Averaged orientation ('UB') matrix: -0.0843868 0.0245479 -0.0892829 0.0921125 0.0587425 -0.0046308 0.0726188 -0.0459853 -0.0535763 Weighted average cell constants: A B C Alpha Beta Gamma Vol 7.0818 12.7310 9.8166 90.000 102.326 90.000 864.64 0.0002 0.0004 0.0003 0.000 0.001 0.000 0.09 Std deviations of the 16 input local LS results: 0.0078 0.0082 0.0087 0.000 0.063 0.000 1.88 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 12.7323 0.7986 6.943 149.734 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 0.3333 -0.0839 -0.0519 -0.2338 -0.0455 -0.8529 Unconstrained global unit cell refinement ============== 02/28/2020 11:36:41 Performing final unit cell least squares on file /smb/isengard/data/lobo002/work/cu_lobo002_01._ma Input file contains 7719 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 (7719 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 2.000 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) 7719 45 7674 12.7318 0.7986 6.943 149.747 Orientation ('UB') matrix: -0.0844066 0.0245306 -0.0893402 0.0921921 0.0587063 -0.0046754 0.0726201 -0.0460534 -0.0535977 A B C Alpha Beta Gamma Vol 7.08069 12.73179 9.81485 90.0195 102.3232 89.9826 864.42 0.00005 0.00009 0.00007 0.0004 0.0004 0.0004 0.01 Corrected for goodness of fit: 0.00021 0.00038 0.00029 0.0018 0.0016 0.0017 0.04 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 103.900 129.464 40.594 Goniometer zeros (deg): 0.0000* -0.0157 0.0000* 0.1018 (*=never refined) Crystal translations (pixels): 0.1907 -0.0308 -0.7602 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.0337 0.1797 -0.0573 -0.2433 -0.0605 -0.8906 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.05117e+05 3.35382e+05 4.41 2 0 2 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 7674 7674 1892 Average input ESD (pix, pix, deg): 0.37760 0.18117 0.18307 Goodness of fit: 3.33887 5.47947 3.20406 Highest-magnitude correlations: 1 -0.70284 EuPhi1 / EuOmega1 2 0.67484 Z-Translation1 / Y-Center1 3 0.65770 Chi Zero1 / Gamma1 4 -0.65715 EuChi1 / Alpha1 5 -0.62022 Chi Zero1 / Alpha1 6 -0.61005 Gamma1 / Alpha1 7 0.52783 EuChi1 / Beta1 8 0.46507 Yaw1 / X-Center1 New orientation is in /smb/isengard/data/lobo002/work/cu_lobo002_0u.p4p Constrained global unit cell refinement ================= 02/28/2020 11:36:43 Performing final unit cell least squares on file /smb/isengard/data/lobo002/work/cu_lobo002_01._ma Input file contains 7719 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 (7719 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 2.000 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) 7719 47 7672 12.7320 0.7987 6.943 149.712 Orientation ('UB') matrix: -0.0844102 0.0245354 -0.0893488 0.0922063 0.0587138 -0.0046817 0.0726068 -0.0460390 -0.0535868 A B C Alpha Beta Gamma Vol 7.08066 12.73200 9.81492 90.0000 102.3299 90.0000 864.41 0.00005 0.00009 0.00007 0.0000 0.0003 0.0000 0.01 Corrected for goodness of fit: 0.00021 0.00038 0.00029 0.0000 0.0015 0.0000 0.04 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 103.895 129.474 40.591 Goniometer zeros (deg): 0.0000* -0.0160 0.0000* 0.1120 (*=never refined) Crystal translations (pixels): 0.1915 -0.0490 -0.7018 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.0366 0.1391 -0.0569 -0.2483 -0.0612 -0.8913 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.49409e+05 3.37906e+05 4.43 3 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 7672 7672 1892 Average input ESD (pix, pix, deg): 0.37767 0.18119 0.18307 Goodness of fit: 3.34018 5.51033 3.19886 Highest-magnitude correlations: 1 -0.80785 EuPhi1 / EuOmega1 2 0.63384 Z-Translation1 / Y-Center1 3 0.48645 EuOmega1 / Beta1 New orientation is in /smb/isengard/data/lobo002/work/cu_lobo002_0m.p4p End global unit cell refinement ========================= 02/28/2020 11:36:43