SAINT V8.38A saint D3exAr.slm /BATCH /CONFIG:D3exAr.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 1596 Total topped/rescanned pixels: 36180 Minimum pixel ceiling(frame): 163809(fastscan_01_0001.sfrm) Maximum pixel ceiling(frame): 163809(fastscan_01_0001.sfrm) Total spots predicted: 12348 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 1620* Outside frame limits: 563* Spots exceeding frame queue size: 38* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 1499* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 8614 Total spot components written: 8614 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 8614 Twin overlaps written: 0 Average Intensity: 850815.9 Average I/sigma: 149.95 % over "strong" threshold: 96.70 % less than 2 sigma: 0.64 % which spanned more than 1 frame: 63.11 Average X,Y,Z positional errors: -0.01 -0.04 -0.00 RMS X,Y,Z positional errors: 0.75 0.64 0.19 % X,Y,Z more than 0.5 pixel: 11.47 17.22 2.67 % X,Y,Z more than 1.0 pixel: 4.99 5.86 0.35 Avg % profile volume populated: 95.72 Avg % profile volume integrated: 32.02 Avg % profile missing I: 3.86 Avg % profile missing volume: 4.28 Avg % volume overlap in H,K,L: 0.25 1.40 0.15 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 31.89 27.11 14.12 Average spot-shape correlation: 0.681 RMS spot-shape correlation: 0.711 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.189 0.150 37 1.0 2.0 0.377 0.215 18 2.0 4.0 0.479 0.139 39 4.0 8.0 0.659 0.152 99 8.0 16.0 0.713 0.209 261 16.0 32.0 0.700 0.211 523 32.0 64.0 0.696 0.213 1190 64.0 128.0 0.676 0.207 2648 128.0 256.0 0.748 0.182 3799 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: 8614 LS-fit intensities scaled: 226 Full overlaps included in above: 0 Rejected due to poor spot shape: 145 Unwritable (I, sigma too large): 0 Number written: 8469 Sorting Reflection File ============================== 06/17/2021 13:35:55 Integration of gore001 Merging input files 1 /smb/isengard/data/gore001/work/gore001_01.raw 2 /smb/isengard/data/gore001/work/gore001_01A.raw 3 /smb/isengard/data/gore001/work/gore001_02.raw 4 /smb/isengard/data/gore001/work/gore001_03.raw 5 /smb/isengard/data/gore001/work/gore001_04.raw 6 /smb/isengard/data/gore001/work/gore001_05.raw 7 /smb/isengard/data/gore001/work/gore001_06.raw 8 /smb/isengard/data/gore001/work/gore001_07.raw 9 /smb/isengard/data/gore001/work/gore001_08.raw 10 /smb/isengard/data/gore001/work/gore001_09.raw 11 /smb/isengard/data/gore001/work/gore001_10.raw 12 /smb/isengard/data/gore001/work/gore001_11.raw Merging to output file: /smb/isengard/data/gore001/work/gore001_0m.raw 634 spot components in 634 spots read from file 1--/smb/isengard/data/gore001/work/gore001_01.raw 696 spot components in 696 spots read from file 2--/smb/isengard/data/gore001/work/gore001_01A.raw 431 spot components in 431 spots read from file 3--/smb/isengard/data/gore001/work/gore001_02.raw 1315 spot components in 1315 spots read from file 4--/smb/isengard/data/gore001/work/gore001_03.raw 546 spot components in 546 spots read from file 5--/smb/isengard/data/gore001/work/gore001_04.raw 562 spot components in 562 spots read from file 6--/smb/isengard/data/gore001/work/gore001_05.raw 572 spot components in 572 spots read from file 7--/smb/isengard/data/gore001/work/gore001_06.raw 1491 spot components in 1491 spots read from file 8--/smb/isengard/data/gore001/work/gore001_07.raw 574 spot components in 574 spots read from file 9--/smb/isengard/data/gore001/work/gore001_08.raw 393 spot components in 393 spots read from file 10--/smb/isengard/data/gore001/work/gore001_09.raw 835 spot components in 835 spots read from file 11--/smb/isengard/data/gore001/work/gore001_10.raw 420 spot components in 420 spots read from file 12--/smb/isengard/data/gore001/work/gore001_11.raw 8469 spot components in 8469 spots written to file /smb/isengard/data/gore001/work/gore001_0m.raw Computing Reflection File Statistics ========== 06/17/2021 13:35:56 Integration of gore001 ................................................................................... Statistics for reflections in gore001_0m.raw File is in BrukerAXS area detector ASCII format Number of lines read (incl comments) = 8469 Number of reflection records read = 8469 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 8469 Number of spot components used = 8469 ................................................................................... Integration of gore001 Statistics for sample 1 of 1 in gore001_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 5.300 18.177 6.257 90.000 98.755 90.000 2/mB Monoclinic B-uniq Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_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 66 57 61 65 3.0 1222510.6 88.61 10.79 0.351 0.105 38.5 0.405 0.291 0.56 1.9-.28 .12 3.3 1.3 .38 32.000 117 95 97 117 0.9 919995.89 106.36 11.10 0.319 0.036 36.9 0.333 0.274 0.45 .26-.14-.01 1.5 1.3 .15 64.000 189 131 133 189 1.1 909729.78 122.09 11.43 0.295 0.101 30.7 0.285 0.188 0.40 .09-.06-.00 .84 .66 .23 96.000 252 174 174 252 0.4 1056518.3 135.83 11.67 0.402 0.145 44.0 0.356 0.223 0.46 .14-.03-.02 .83 .98 .16 128.000 409 216 217 409 0.5 1094628.0 160.11 12.58 0.381 0.098 49.6 0.334 0.221 0.51 .03-.02-.01 .42 .60 .16 160.000 659 307 310 659 0.8 1064861.5 174.19 13.74 0.395 0.106 48.9 0.373 0.192 0.43 .02-.03 .01 .20 .42 .15 192.000 1018 384 391 1016 0.5 1057929.9 181.64 15.60 0.315 0.003 44.6 0.291 0.216 0.52 .06 .03 .01 .16 .39 .13 224.000 1447 291 301 1443 0.4 918319.22 168.75 17.13 0.224 -0.076 31.8 0.214 0.277 0.54 .09 .01 .00 .15 .39 .12 256.000 1351 400 404 1350 0.6 781283.16 153.54 17.11 0.249 -0.073 30.7 0.221 0.263 0.57-.11-.02 .00 .17 .39 .13 288.000 1106 372 374 1106 0.9 697359.36 148.03 15.68 0.353 -0.044 35.4 0.338 0.253 0.44-.08-.02-.00 .24 .53 .18 320.000 734 345 346 734 0.7 732050.18 149.01 13.91 0.461 0.026 42.7 0.431 0.272 0.46-.05-.07-.01 .39 .55 .21 352.000 498 281 293 493 0.4 643277.78 132.36 12.88 0.442 0.042 40.1 0.455 0.280 0.51-.12-.11-.05 .79 .85 .31 384.000 290 190 206 284 0.7 684620.36 112.25 11.85 0.493 0.045 43.9 0.498 0.294 0.47-.17-.13-.04 1.5 .92 .37 416.000 195 137 152 189 1.0 538412.03 89.78 11.43 0.407 -0.026 34.3 0.416 0.275 0.48-.23-.22-.04 1.9 1.4 .33 448.000 83 69 74 81 1.2 647412.94 69.88 10.92 0.544 -0.151 49.5 0.477 0.396 0.57-.75-.29-.02 3.1 1.9 .36 480.000 55 41 50 51 1.8 722216.16 59.18 10.76 0.457 -0.100 37.9 0.326 0.176 0.34-.89-.53-.14 3.1 1.8 .51 512.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 287 237 242 286 1.4 876566.64 145.49 11.47 0.299 -0.075 35.9 0.301 0.188 0.49-.00 .21-.00 1.1 1.2 .14 32.000 510 390 398 506 0.6 990480.41 163.17 12.04 0.324 0.005 42.0 0.282 0.235 0.63 .03-.07 .00 .75 .63 .18 64.000 794 561 571 793 0.8 810667.31 146.07 13.11 0.360 -0.083 41.1 0.338 0.212 0.51 .00-.05-.01 .75 .50 .21 96.000 1039 635 647 1039 0.3 847223.14 148.67 15.04 0.348 -0.046 39.7 0.321 0.207 0.54 .00-.03-.01 .42 .32 .19 128.000 1311 782 796 1307 0.5 823969.25 145.94 16.70 0.313 0.049 33.8 0.287 0.193 0.53 .02-.04-.01 .37 .24 .19 160.000 1360 769 784 1353 1.0 779353.27 141.39 17.48 0.304 0.062 32.3 0.289 0.186 0.51 .01-.01 .00 .42 .26 .19 192.000 1197 740 756 1189 0.5 844596.37 148.76 16.11 0.312 0.039 35.2 0.308 0.199 0.52-.01 .03-.00 .77 .38 .19 224.000 853 562 580 850 0.5 905192.83 157.20 14.24 0.376 -0.041 44.7 0.344 0.237 0.53-.00 .02-.01 .46 .48 .18 256.000 605 464 474 605 0.3 946004.39 167.15 12.69 0.333 0.003 43.0 0.317 0.216 0.56-.09-.05-.01 1.3 .94 .20 288.000 388 303 311 385 0.5 993029.59 165.82 11.76 0.356 -0.008 49.5 0.358 0.227 0.54-.04-.19-.01 1.2 1.3 .18 320.000 125 115 116 125 4.0 813228.12 112.66 11.40 0.465 -0.151 46.2 0.424 0.294 0.60-.50-1.4 .01 2.1 2.5 .34 352.000 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 .00 384.000 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 .00 416.000 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 .00 448.000 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 .00 480.000 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 .00 512.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 312 222 228 312 0.3 971324.84 181.76 14.78 0.304 -0.143 46.4 0.268 0.213 0.57-.01 .03-.00 .14 .44 .12 30.000 927 510 520 926 0.5 927122.21 175.34 15.90 0.280 -0.040 38.2 0.249 0.196 0.53-.02 .09 .00 .17 .52 .14 60.000 1346 687 694 1345 0.6 830278.82 158.46 16.77 0.296 0.026 33.4 0.284 0.198 0.52-.02-.03 .00 .22 .52 .15 90.000 1501 783 788 1500 0.7 813746.58 152.76 16.88 0.312 0.051 33.6 0.301 0.194 0.54-.01-.04-.01 .29 .46 .17 120.000 1371 775 786 1367 0.4 854969.17 156.36 15.48 0.361 0.025 40.7 0.344 0.208 0.53-.01-.06-.00 .53 .56 .20 150.000 1132 688 713 1125 0.5 848981.82 147.78 13.63 0.372 -0.019 42.5 0.366 0.196 0.51-.01-.08-.02 .73 .52 .23 180.000 780 514 531 772 0.9 872740.86 140.91 12.44 0.382 -0.021 43.3 0.342 0.220 0.53-.05-.11-.01 .90 .74 .23 210.000 612 425 444 606 0.8 897874.75 132.16 11.71 0.336 -0.008 39.2 0.307 0.218 0.63-.10-.15-.01 1.5 1.0 .23 240.000 358 263 272 356 0.6 754164.09 99.74 11.25 0.386 -0.042 35.6 0.360 0.255 0.58 .17-.02 .01 1.5 1.0 .25 270.000 130 108 115 129 3.1 986683.05 117.11 10.97 0.333 0.032 42.4 0.317 0.242 0.39 .27 .22-.01 2.3 1.5 .30 300.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 525 370 376 525 0.2 1285446.3 202.29 12.39 0.278 0.087 48.2 0.264 0.211 0.59 .18-.16 .00 .94 1.1 .14 2.000 593 464 476 590 1.3 648267.07 116.01 12.08 0.487 -0.196 43.3 0.478 0.260 0.49-.39-.32-.02 1.7 1.5 .26 3.000 3632 890 913 3625 0.6 965549.17 155.28 15.27 0.319 0.009 39.2 0.299 0.174 0.52 .09 .01 .00 .52 .42 .15 4.000 3719 995 1045 3698 0.6 725204.41 140.65 15.35 0.343 -0.005 35.4 0.321 0.290 0.54-.08-.03-.01 .65 .48 .22 5.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 2755 861 877 2753 0.5 868918.16 165.66 16.31 0.291 -0.020 36.3 0.269 0.245 0.54-.02 .02 .00 .20 .51 .14 2.000 451 291 319 439 0.7 645689.94 96.33 11.78 0.542 -0.076 43.7 0.566 0.359 0.57-.37-.26-.03 2.0 1.3 .33 3.000 65 63 63 65 3.1 488601.86 84.66 11.49 0.602 -0.302 40.2 0.583 0.213 0.38-.78-1.1-.02 1.9 2.5 .32 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 57 54 54 57 0.0 1194168.0 191.84 11.60 0.226 0.090 37.9 0.233 0.240 0.63 .30-.45-.02 .86 1.5 .13 6.000 341 247 250 340 0.6 1208825.7 144.84 11.78 0.277 0.202 38.1 0.270 0.200 0.51 .33-.19 .00 1.5 1.0 .20 7.000 1219 544 549 1219 0.9 975531.72 141.17 13.39 0.438 0.043 49.1 0.405 0.185 0.45 .09 .01 .00 .67 .53 .17 8.000 2308 744 759 2303 0.6 865295.36 161.97 15.82 0.274 -0.068 34.8 0.261 0.218 0.56-.00-.03 .00 .18 .36 .14 9.000 1273 560 592 1262 0.6 691126.99 133.19 13.92 0.392 0.085 37.4 0.363 0.259 0.47-.06-.04-.04 .89 .60 .30 10.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1006 659 686 999 0.5 775001.63 154.32 15.19 0.264 -0.020 30.4 0.232 0.190 0.60 .01-.02-.01 .95 .61 .20 9.807 995 685 699 994 0.4 819813.06 157.02 15.25 0.229 0.029 29.0 0.203 0.182 0.63-.00-.09-.01 .93 .70 .19 18.615 1000 643 652 997 0.5 814401.95 160.97 15.39 0.224 0.029 28.2 0.208 0.160 0.60-.01-.08-.01 .75 .48 .20 27.422 1002 671 680 999 0.5 758383.37 149.64 15.24 0.230 0.020 27.8 0.213 0.166 0.57 .03-.09-.02 .82 .69 .20 36.230 952 641 660 950 0.1 788509.18 156.03 15.50 0.241 0.020 30.8 0.217 0.198 0.65 .02-.06-.01 .73 .70 .21 45.037 468 357 369 461 0.2 842696.79 155.54 15.16 0.340 0.005 42.1 0.328 0.181 0.51-.04-.02 .02 .84 .73 .21 53.845 316 261 262 315 0.9 875894.18 143.86 14.88 0.398 0.023 43.0 0.365 0.234 0.60 .00 .15-.00 .35 .51 .17 62.652 298 248 251 296 1.0 922511.47 146.24 14.41 0.456 -0.037 52.9 0.450 0.205 0.44 .03 .11 .01 .64 .83 .20 71.460 348 270 275 345 0.9 873608.14 145.55 13.99 0.333 0.016 42.5 0.341 0.154 0.40-.03-.04 .02 .45 .65 .16 80.267 321 251 260 320 0.6 922480.29 158.23 14.18 0.324 0.058 38.5 0.325 0.155 0.45-.03-.17 .02 .52 .56 .15 89.075 241 186 195 240 1.7 998379.65 147.44 13.98 0.452 0.031 54.0 0.494 0.191 0.40-.06-.16-.00 .40 .48 .20 97.882 216 180 180 216 0.5 1082236.0 153.16 14.43 0.434 0.008 52.7 0.464 0.213 0.49-.00 .26 .05 .44 .69 .16 106.690 259 194 194 259 0.4 918700.95 140.95 14.33 0.402 0.001 46.9 0.398 0.201 0.50-.09 .29 .02 .60 .72 .16 115.497 191 146 148 191 0.0 927767.36 126.77 14.57 0.522 -0.113 56.8 0.485 0.263 0.61-.10 .27 .01 .69 .74 .24 124.305 131 102 102 131 4.6 992952.46 140.75 14.10 0.570 -0.084 64.3 0.568 0.300 0.46-.10-.26-.11 .34 .49 .17 133.112 154 132 132 154 2.6 1255532.7 145.19 14.14 0.578 -0.008 69.6 0.560 0.247 0.46-.01-.41-.06 .67 .71 .20 141.920 144 113 113 144 2.1 1045451.8 132.14 13.85 0.650 -0.108 79.4 0.561 0.265 0.50-.03-.29-.03 .54 .53 .23 150.727 143 119 120 143 0.7 1003768.4 125.29 14.17 0.580 -0.179 65.9 0.517 0.302 0.52-.02 .03-.02 .26 .28 .13 159.535 127 113 114 127 2.4 956003.57 127.31 13.66 0.581 -0.159 64.5 0.466 0.397 0.63-.09 .03-.03 .75 .53 .19 168.342 157 133 133 157 0.0 1071422.5 143.13 13.17 0.490 0.017 54.5 0.395 0.297 0.56-.10-.01-.02 .56 .55 .14 177.150 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 554 421 434 550 0.2 809979.95 155.26 15.39 0.171 0.063 20.7 0.152 0.156 0.60-.02-.10-.01 .57 .55 .17 10.000 600 445 459 600 0.0 839852.13 154.95 15.21 0.192 0.097 23.1 0.158 0.189 0.71 .00-.12-.03 .95 .72 .22 20.000 412 325 332 411 0.0 897055.10 160.05 15.05 0.193 0.113 22.9 0.181 0.135 0.49 .02-.15-.01 .94 .76 .23 30.000 267 206 207 267 0.4 1035199.9 150.44 15.02 0.216 0.163 22.0 0.185 0.175 0.59 .06-.14 .01 .54 .59 .20 40.000 303 240 242 303 0.0 928720.08 152.88 14.57 0.189 0.131 22.4 0.184 0.128 0.46 .11 .00 .00 .75 .55 .17 50.000 239 173 175 239 0.0 1111569.2 171.69 14.64 0.251 0.224 30.2 0.229 0.153 0.48 .04 .09-.01 .51 .31 .17 60.000 150 122 122 150 0.0 1213686.8 151.56 14.47 0.286 0.262 29.3 0.262 0.174 0.51 .04 .23-.02 .55 .68 .13 70.000 153 129 131 152 0.7 1213560.1 144.28 13.91 0.244 0.209 26.1 0.252 0.141 0.41-.06 .31 .00 .83 .83 .22 80.000 115 99 100 114 0.9 1247587.5 157.99 13.67 0.306 0.275 33.6 0.299 0.133 0.37 .04 .47 .03 .46 .64 .11 90.000 137 113 115 136 0.0 1476542.9 167.96 13.79 0.295 0.264 35.6 0.330 0.148 0.40-.01 .42 .01 .61 .78 .12 100.000 123 106 107 123 0.0 1378282.6 157.54 13.78 0.287 0.267 32.7 0.300 0.187 0.45-.04 .07-.00 .44 .54 .11 110.000 133 104 107 133 0.0 1321422.1 148.07 13.99 0.281 0.263 31.9 0.287 0.165 0.49 .01-.07-.03 .30 .37 .13 120.000 107 81 83 106 0.0 1291508.6 155.46 14.34 0.296 0.283 31.4 0.304 0.162 0.46 .04-.22-.05 .41 .42 .13 130.000 82 71 71 82 0.0 2175095.5 177.45 13.11 0.350 0.349 47.4 0.344 0.200 0.51-.06-.36-.07 .23 .56 .17 140.000 80 73 73 80 1.2 2087041.6 185.68 13.13 0.377 0.376 53.3 0.334 0.171 0.44-.05-.59-.06 .35 .85 .15 150.000 85 72 76 82 0.0 1539684.3 137.40 13.49 0.331 0.320 39.1 0.313 0.182 0.46-.10-.37-.03 .26 .71 .12 160.000 64 61 62 64 0.0 1891837.2 165.35 13.29 0.351 0.351 49.2 0.262 0.238 0.70 .02-.31-.01 .26 .66 .13 170.000 77 71 76 76 0.0 1538026.6 161.91 13.63 0.355 0.349 40.6 0.283 0.187 0.51-.21-.32 .03 .66 .85 .16 180.000 76 66 67 76 1.3 567281.43 95.23 13.11 1.584 -1.363120.1 1.216 0.747 0.57-.03-.06 .04 .27 .37 .15 190.000 114 100 102 113 0.9 554382.84 107.79 14.17 0.798 -0.576 64.1 0.646 0.401 0.56-.00 .05 .07 .38 .36 .18 200.000 126 112 114 125 0.0 660494.05 132.32 14.27 0.602 -0.415 61.5 0.612 0.214 0.36-.02 .28 .07 .53 .75 .24 210.000 144 131 134 144 1.4 590236.37 117.26 14.23 0.766 -0.551 72.3 0.713 0.394 0.51-.17 .29 .03 1.7 1.1 .20 220.000 131 113 115 131 0.8 556928.34 110.70 14.67 0.832 -0.670 70.9 0.895 0.340 0.43-.00 .31 .01 .44 .70 .18 230.000 136 119 122 135 2.9 694692.19 136.70 15.55 0.624 -0.441 62.8 0.600 0.347 0.53-.13 .22-.00 .63 .69 .16 240.000 120 106 108 118 1.7 516224.50 102.85 14.78 0.966 -0.846 72.2 0.955 0.410 0.44-.10-.04 .02 .57 .86 .18 250.000 150 127 127 150 2.7 542983.63 119.53 14.75 0.847 -0.700 70.9 0.821 0.280 0.33-.21-.44-.06 1.1 .00 .20 260.000 113 101 101 113 2.7 461854.66 101.70 14.47 0.909 -0.855 62.8 0.914 0.310 0.35-.11-.53-.02 .83 1.2 .23 270.000 137 121 122 137 3.6 587324.21 121.95 15.43 0.778 -0.663 71.5 0.916 0.376 0.44 .00-.47-.00 .47 .69 .15 280.000 138 116 120 135 1.4 508086.76 113.54 14.97 0.914 -0.765 70.1 0.900 0.427 0.43-.02-.49 .03 .59 .76 .21 290.000 371 294 302 368 0.3 635409.65 138.50 15.35 0.443 -0.302 46.0 0.430 0.250 0.52-.01-.07 .01 .68 .51 .22 300.000 437 344 350 433 0.9 684497.98 150.52 15.63 0.328 -0.124 38.2 0.313 0.223 0.59-.01 .00-.00 .51 .38 .22 310.000 459 370 377 458 1.5 729144.29 156.11 15.37 0.369 -0.146 41.1 0.377 0.236 0.53-.04-.01 .01 .76 .62 .23 320.000 480 400 405 480 0.8 683262.66 151.81 15.23 0.357 -0.154 43.1 0.320 0.238 0.58-.05 .01-.01 .66 .48 .22 330.000 485 392 395 485 0.8 761396.95 157.29 15.39 0.286 -0.085 35.8 0.258 0.227 0.63 .06 .04-.01 1.1 .82 .19 340.000 649 451 459 648 0.6 767068.75 161.32 15.11 0.233 -0.081 31.1 0.211 0.211 0.63-.03 .01-.00 .79 .43 .20 350.000 522 409 416 521 0.2 674527.75 145.82 15.26 0.230 -0.038 28.9 0.213 0.174 0.53 .05-.06-.03 .70 .49 .18 360.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1441 343 348 1439 2.7 1338052.8 113.08 11.09 0.792 -0.154108.1 0.740 0.221 0.45 .03-.02-.00 .48 .31 .16 0.158 320 301 311 316 0.3 828332.50 171.20 15.41 0.169 0.129 24.3 0.141 0.162 0.64-.02-.03-.02 .89 .62 .23 0.315 401 380 390 398 0.5 700098.15 166.19 16.32 0.136 0.062 18.7 0.124 0.133 0.62-.17-.32-.03 1.3 1.0 .23 0.473 428 415 424 422 0.5 676347.95 164.66 16.24 0.161 -0.025 21.9 0.137 0.158 0.54 .02 .07 .06 .55 .62 .24 0.630 405 282 292 405 0.0 820430.70 180.56 15.39 0.154 0.129 23.2 0.146 0.128 0.62-.04-.10-.04 .48 .40 .18 0.788 393 364 369 391 0.3 926163.81 185.12 16.16 0.240 0.209 34.9 0.214 0.139 0.63-.07-.08 .01 .81 .60 .21 0.945 423 371 375 421 0.2 643138.35 151.14 16.46 0.200 -0.095 27.5 0.182 0.178 0.61-.10 .09-.04 .74 .61 .21 1.103 426 336 343 426 0.9 751972.64 168.40 15.82 0.151 0.085 20.4 0.153 0.180 0.73-.00-.09 .00 .55 .47 .21 1.260 434 368 374 433 0.0 785756.36 167.49 15.97 0.151 0.063 23.0 0.132 0.156 0.68-.11-.09 .01 1.0 .58 .23 1.418 341 241 251 340 0.0 822696.92 194.94 15.46 0.168 0.139 27.2 0.162 0.138 0.65-.13-.11 .00 .96 .74 .18 1.575 312 219 221 310 0.0 939446.52 213.22 15.77 0.256 0.252 43.2 0.236 0.165 0.74-.07 .25-.02 .59 .72 .11 1.733 318 284 294 314 0.0 909427.51 208.07 15.61 0.213 0.206 36.9 0.200 0.133 0.64-.10-.23 .05 .45 .95 .19 1.890 294 265 266 294 1.0 664935.31 177.04 16.97 0.136 -0.009 20.5 0.096 0.166 0.68-.13 .14-.03 .61 .98 .16 2.048 311 307 309 311 0.0 684862.57 177.20 16.12 0.150 -0.089 23.0 0.126 0.177 0.69-.11-.08-.01 .57 .57 .16 2.205 476 463 470 475 0.2 646906.42 153.47 14.73 0.186 -0.092 26.5 0.183 0.155 0.61 .00-.06-.04 .55 .42 .22 2.363 377 282 292 377 0.0 677643.32 150.37 14.36 0.148 -0.055 19.7 0.144 0.179 0.67 .10-.07-.03 .78 .69 .19 2.520 302 259 265 301 0.0 784324.71 160.80 15.51 0.114 0.043 18.1 0.112 0.135 0.62 .11-.05-.00 .71 .64 .12 2.678 366 313 313 366 0.0 748428.03 155.32 15.79 0.126 -0.010 18.2 0.101 0.153 0.69 .17-.24-.00 .74 .72 .14 2.835 334 292 300 332 0.0 794664.60 166.16 14.59 0.121 0.030 17.3 0.116 0.163 0.66 .11 .25-.00 1.2 .96 .14 2.993 367 350 356 367 0.3 706201.50 146.56 15.49 0.120 -0.055 15.0 0.139 0.155 0.66 .18 .04 .03 .70 .48 .27 3.150 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 634 222 223 634 0.6 2594754.6 138.85 10.81 0.369 0.367 39.2 0.341 0.197 0.43 .03-.03-.02 .31 .24 .12 2.000 696 250 254 694 4.6 283392.12 41.85 10.59 4.621 -4.588185.3 4.693 1.747 0.43 .02-.03 .02 .56 .36 .18 3.000 431 392 403 427 0.9 814118.53 172.19 15.52 0.158 0.110 22.8 0.134 0.163 0.64 .01-.02-.03 .83 .57 .23 4.000 1315 837 861 1306 0.3 738082.71 171.30 15.98 0.152 0.065 21.4 0.136 0.149 0.60-.07-.10-.00 .86 .73 .23 5.000 546 419 426 542 0.2 816739.72 173.46 16.35 0.239 0.137 34.1 0.210 0.158 0.63-.10 .03-.02 .81 .61 .19 6.000 562 364 370 562 0.9 726051.59 163.95 15.99 0.165 0.010 22.2 0.171 0.192 0.66-.01-.09-.01 .60 .51 .21 7.000 572 464 475 571 0.0 761783.00 165.08 15.99 0.149 0.060 22.4 0.130 0.155 0.68-.08-.13 .01 .95 .58 .24 8.000 1491 932 953 1484 0.2 812144.77 197.32 15.95 0.193 0.123 30.7 0.173 0.158 0.72-.11 .01-.00 .67 .81 .15 9.000 574 553 562 573 0.2 671653.19 156.17 14.84 0.175 -0.060 25.6 0.170 0.155 0.63-.02-.03-.05 .57 .45 .22 10.000 393 294 302 393 0.0 651061.14 144.67 14.12 0.140 -0.067 17.9 0.138 0.172 0.68 .18-.10-.01 .73 .64 .18 11.000 835 631 643 832 0.0 771596.19 160.67 15.42 0.123 0.014 18.3 0.110 0.161 0.67 .10-.04 .00 .72 .74 .13 12.000 420 397 404 420 0.2 745487.75 151.95 15.48 0.119 -0.032 15.4 0.133 0.152 0.65 .23 .07 .02 1.1 .76 .26 13.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 58 47 48 58 29.3 165145.81 59.96 13.66 0.317 -0.289 19.5 0.241 0.252 0.87 .07 .14-.01 1.5 1.6 .20 0.100 134 123 126 134 9.7 397884.68 111.46 14.71 0.287 -0.268 29.9 0.277 0.217 0.67-.07-.10 .00 .59 .47 .19 0.200 273 233 237 273 4.0 464190.45 125.60 15.03 0.209 -0.168 24.9 0.204 0.167 0.70-.07-.09-.00 1.3 .72 .16 0.300 415 342 355 413 1.9 566570.17 135.75 15.00 0.191 -0.068 23.3 0.172 0.168 0.76 .00-.08-.00 1.1 .90 .14 0.400 669 498 515 664 0.1 583187.54 128.91 14.96 0.185 -0.052 20.2 0.168 0.167 0.74-.03-.07-.00 1.1 .77 .21 0.500 826 566 587 822 0.4 698732.60 136.97 15.26 0.180 -0.008 21.0 0.164 0.164 0.69 .05-.04-.01 .90 .65 .18 0.600 1377 797 813 1373 0.1 712976.81 131.59 15.05 0.232 0.012 23.9 0.226 0.179 0.57-.03-.04-.01 .83 .71 .25 0.700 1627 830 855 1620 0.0 888238.65 145.51 14.95 0.325 0.015 35.2 0.304 0.204 0.58-.04-.03-.02 .71 .62 .22 0.800 2216 803 822 2208 0.0 1055655.7 158.52 14.82 0.394 0.025 50.4 0.371 0.199 0.52 .00-.03 .00 .36 .54 .16 0.900 874 337 340 873 0.0 1264157.7 195.89 14.46 0.483 -0.011 80.9 0.447 0.247 0.48 .00-.00 .01 .26 .36 .13 1.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8188 1161 1220 8163 0.6 862350.16 151.25 15.02 0.334 0.002 38.7 0.315 0.198 0.57-.01-.02-.01 .49 .45 .18 0.050 68 61 68 65 2.9 656595.84 138.75 12.43 0.238 0.029 28.6 0.204 0.129 0.33-.19-.14-.05 1.9 1.6 .23 0.100 37 35 37 36 2.7 684688.18 130.28 11.35 0.448 -0.273 47.0 0.364 0.360 0.77-.84-.50 .02 2.3 2.0 .60 0.150 19 19 19 19 0.0 937962.94 96.96 11.36 0.237 0.071 26.8 0.154 0.282 1.08 .02-.34-.04 .87 1.2 .16 0.200 21 21 21 21 0.0 555289.99 100.30 11.27 0.400 -0.386 33.5 0.394 0.255 0.78 .02-.00 .05 2.3 1.7 .20 0.250 17 16 17 17 0.0 649468.82 104.69 11.51 0.262 -0.061 21.7 0.188 0.166 0.47-.69 .42-.11 2.5 1.6 .19 0.300 21 19 20 21 0.0 905629.93 131.45 11.48 0.231 -0.101 30.3 0.294 0.198 0.68 1.3-1.3 .09 3.2 3.0 .28 0.350 30 26 29 29 3.3 595008.03 85.59 11.28 0.244 -0.004 24.2 0.169 0.226 0.84-.66-1.8 .03 4.1 3.2 .46 0.400 22 20 22 22 0.0 626817.58 93.35 11.29 0.331 -0.140 22.0 0.307 0.338 1.21-.98-1.4 .12 5.3 3.4 .55 0.450 15 12 15 14 0.0 872872.78 140.55 11.45 0.286 0.016 35.4 0.221 0.192 0.48-.94-.90-.04 4.0 3.7 .25 0.500 18 18 18 18 0.0 1034704.5 158.22 11.42 0.335 0.041 36.1 0.296 0.151 0.39 2.0-.62 .00 4.9 4.0 .32 0.550 13 13 13 13 0.0 722060.59 101.87 11.67 0.272 -0.073 22.1 0.318 0.185 0.82-.22-1.0 .01 2.0 2.8 .28 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 gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 417 333 340 416 1.2 774498.44 145.79 15.23 0.335 -0.025 39.9 0.313 0.218 0.58 .01-.03-.01 .55 .48 .20 0.050 421 331 336 420 1.4 823919.13 148.08 15.22 0.370 0.013 39.0 0.341 0.237 0.54-.04-.04-.00 .93 .73 .20 0.100 400 327 332 400 0.5 890260.69 152.86 15.06 0.405 -0.003 42.8 0.385 0.213 0.46-.05-.07-.02 .84 .61 .21 0.150 397 331 336 397 0.3 844044.27 151.57 15.12 0.386 -0.063 43.2 0.367 0.206 0.46-.04-.04-.02 .55 .50 .18 0.200 432 356 363 432 0.2 879417.74 160.29 15.00 0.289 0.026 37.4 0.274 0.191 0.54-.04-.09-.03 1.1 .74 .19 0.250 340 302 306 340 0.0 944815.30 154.92 15.21 0.309 0.063 34.8 0.285 0.197 0.56-.03-.02-.01 .56 .41 .19 0.300 455 371 383 452 0.9 896432.32 154.37 14.72 0.333 0.002 41.6 0.323 0.198 0.51-.03-.06-.02 .55 .55 .20 0.350 416 331 335 415 0.0 856185.99 142.24 14.50 0.375 -0.054 40.3 0.337 0.245 0.59-.03-.02 .01 .53 .54 .18 0.400 491 393 400 490 0.2 883285.32 156.81 14.37 0.333 -0.003 40.9 0.317 0.197 0.49-.03-.03 .01 .71 .65 .17 0.450 532 403 411 530 0.6 873068.37 137.91 14.66 0.323 -0.044 36.4 0.321 0.224 0.60 .03-.02-.00 1.1 .98 .17 0.500 452 365 370 451 0.9 908097.46 146.58 14.22 0.349 -0.001 40.0 0.343 0.204 0.48-.05-.09-.01 .89 .85 .18 0.550 486 380 385 484 0.8 806503.29 144.61 14.51 0.272 -0.039 33.4 0.245 0.191 0.54-.03-.05-.02 .70 .68 .19 0.600 425 344 354 419 0.5 867413.63 147.62 14.73 0.335 -0.022 40.0 0.317 0.213 0.53-.04-.00-.00 .87 .71 .20 0.650 439 347 356 437 0.7 1014576.7 166.10 14.95 0.329 0.068 38.4 0.315 0.190 0.51 .02-.05 .00 .68 .56 .22 0.700 490 385 396 488 0.4 830346.04 156.51 14.96 0.309 -0.026 38.6 0.291 0.196 0.52 .00 .00-.01 .58 .54 .19 0.750 356 305 310 355 0.3 864814.30 152.23 15.35 0.325 0.032 38.8 0.313 0.180 0.48-.00-.02 .02 .45 .46 .18 0.800 404 335 337 403 1.5 787312.82 148.07 15.07 0.332 0.025 36.7 0.309 0.192 0.51 .02-.04 .01 .62 .75 .20 0.850 411 338 343 409 0.5 780767.55 149.39 15.17 0.335 -0.029 37.4 0.294 0.229 0.60 .06-.09-.01 .66 .60 .21 0.900 383 316 321 382 1.0 847122.29 151.41 15.30 0.298 0.080 33.2 0.278 0.179 0.50 .03 .01 .01 .49 .48 .20 0.950 322 267 273 318 1.2 758300.75 132.96 15.28 0.323 0.023 33.9 0.285 0.194 0.55 .02-.03 .00 .61 .43 .19 1.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 20 14 14 20 35.0 9987.735 8.90 15.41 3.185 -3.156 29.0 3.006 1.206 0.69-.03 .01 .02 .35 .12 .21 6757.342 320 149 150 319 4.7 57588.526 27.44 15.55 3.226 -3.132 48.9 3.071 1.192 0.53-.02-.01 .02 .30 .16 .22 13514.684 1136 457 465 1134 1.1 179357.13 52.42 14.91 1.976 -1.865 56.5 1.841 0.855 0.43-.01-.03-.01 .41 .27 .20 27029.367 2006 738 756 2002 0.3 403563.07 82.64 14.74 0.631 -0.445 38.7 0.591 0.379 0.52-.01-.03-.01 .66 .42 .20 54058.734 2502 876 898 2494 0.4 868082.15 129.17 15.22 0.232 0.067 25.1 0.216 0.189 0.55-.02-.05-.00 .75 .66 .20 108117.469 1735 743 765 1729 0.2 1374861.3 201.00 15.23 0.211 0.121 33.0 0.194 0.177 0.61 .02-.05-.00 .89 .77 .18 216234.938 588 364 389 579 0.2 2054493.7 281.89 13.49 0.257 0.205 52.5 0.245 0.183 0.60-.00-.01-.02 .83 1.1 .18 432469.875 126 92 97 125 0.0 2308626.1 372.87 12.52 0.234 0.216 78.2 0.214 0.195 0.56-.34-.22-.01 1.7 1.3 .15 864939.750 31 29 29 31 0.0 4549322.6 594.24 11.99 0.307 0.300172.0 0.297 0.256 0.56-.20-.38-.00 .81 1.1 .16 1729879.5 5 5 5 5 0.0 6796400.0 729.34 11.69 0.365 0.365256.5 0.393 0.249 0.48-.04 .15 .05 1.1 .79 .15 3459759.0 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_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 2.811 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 5.623 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 8.434 1469 378 392 1464 2.4 1261159.6 110.32 10.70 0.807 -0.181106.6 0.762 0.243 0.46 .05-.06 .00 1.3 .90 .19 11.245 2523 1030 1083 2501 0.2 777465.32 189.79 12.62 0.201 0.074 28.9 0.184 0.202 0.64-.06-.09-.02 .89 .85 .25 14.056 1966 884 900 1962 0.3 750850.35 168.20 15.42 0.163 0.047 23.5 0.149 0.159 0.71-.01-.01-.01 .25 .38 .18 16.868 1606 664 667 1606 0.3 808137.35 161.88 18.22 0.144 0.068 20.4 0.135 0.124 0.64-.00 .01 .01 .16 .30 .15 19.679 791 422 423 791 0.6 753748.11 150.21 20.72 0.140 0.053 18.1 0.122 0.124 0.63 .01-.02 .00 .15 .25 .12 22.490 102 85 85 102 0.0 718521.71 152.09 23.21 0.164 0.011 22.7 0.140 0.131 0.52 .04-.08 .00 .13 .25 .12 25.302 12 10 10 12 0.0 454883.12 154.83 26.26 0.135 0.078 18.7 0.168 0.134 0.33 .00 .00-.02 .09 .08 .11 28.113 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 136 98 112 130 2.2 363129.97 111.82 11.91 0.372 -0.115 33.1 0.320 0.317 0.46-3.2-.95 .02 4.2 2.9 .51 -1.380 13 13 13 13 0.0 227829.34 89.29 12.60 0.432 -0.198 35.8 0.268 0.527 1.26-1.3-.61-.06 1.3 2.2 .21 -1.260 19 19 19 19 5.3 1059614.2 266.30 12.23 0.393 0.331 58.1 0.267 0.321 0.75-1.2-.22 .01 1.2 1.0 .29 -1.140 22 22 22 22 0.0 791686.97 194.15 12.05 0.284 0.022 37.3 0.438 0.294 0.86-1.1-.23-.11 1.1 1.5 .30 -1.020 46 44 46 46 0.0 480680.07 141.10 12.64 0.403 0.026 34.9 0.405 0.215 0.43-.96-.36-.02 .96 1.0 .23 -0.900 39 32 37 39 0.0 620235.79 194.30 12.45 0.285 0.136 37.3 0.274 0.185 0.46-.84-.14 .09 .84 .90 .29 -0.780 75 64 69 73 1.3 364267.86 123.79 12.90 0.286 -0.044 27.2 0.248 0.196 0.64-.71-.05 .08 .71 .85 .34 -0.660 101 91 95 100 1.0 381638.80 110.32 12.95 0.511 -0.244 36.4 0.438 0.432 0.64-.59-.16 .03 .59 .79 .32 -0.540 124 109 112 123 1.6 549726.31 159.24 13.42 0.299 -0.001 33.5 0.274 0.273 0.66-.48-.02-.03 .48 .60 .27 -0.420 241 219 223 240 1.7 584160.92 128.29 13.30 0.320 -0.123 32.6 0.321 0.204 0.53-.35-.04 .01 .36 .54 .26 -0.300 606 436 441 606 0.7 685392.67 134.85 14.35 0.333 -0.050 35.9 0.311 0.220 0.54-.23-.02-.00 .23 .41 .16 -0.180 1694 732 742 1691 0.5 915683.64 152.48 15.68 0.320 0.011 35.8 0.306 0.232 0.54-.12-.01 .00 .12 .30 .16 -0.060 2184 859 876 2181 0.6 994912.27 153.18 15.12 0.362 0.013 43.1 0.332 0.192 0.53 .00-.00-.00 .04 .32 .15 0.060 1943 697 708 1939 0.4 988746.05 163.32 15.99 0.296 0.027 38.7 0.287 0.203 0.56 .12-.02-.00 .12 .28 .14 0.180 500 368 376 498 0.2 788209.85 142.24 14.40 0.327 -0.039 37.9 0.293 0.229 0.57 .23-.05-.02 .23 .42 .19 0.300 206 174 179 204 1.0 674354.12 127.82 13.16 0.317 -0.070 35.0 0.304 0.245 0.61 .35 .02-.04 .35 .70 .23 0.420 106 97 98 106 0.9 751275.23 138.39 12.98 0.422 -0.048 44.1 0.432 0.251 0.53 .48 .10-.07 .48 .75 .28 0.540 89 82 85 89 4.5 579627.30 131.11 12.80 0.391 -0.014 41.0 0.358 0.238 0.58 .60 .01-.04 .60 .65 .28 0.660 57 53 55 56 1.8 573471.59 132.56 12.51 0.462 -0.027 38.9 0.400 0.313 0.72 .71 .02 .03 .72 .79 .25 0.780 44 40 43 43 0.0 429177.19 110.42 12.45 0.563 -0.190 38.5 0.602 0.229 0.34 .85-.14-.05 .85 .76 .30 0.900 27 26 27 27 0.0 431123.77 77.57 12.43 0.458 -0.208 37.5 0.427 0.298 0.66 .96-.10 .03 .96 .88 .29 1.020 31 29 30 31 0.0 307706.58 69.42 12.26 0.507 -0.453 31.7 0.712 0.265 0.42 1.1-.20-.11 1.1 .59 .29 1.140 17 15 17 17 0.0 282206.09 106.40 12.56 0.198 -0.142 19.5 0.171 0.255 1.08 1.2 .10 .03 1.2 .89 .53 1.260 19 17 19 17 0.0 828703.70 225.44 12.87 0.291 0.170 33.4 0.247 0.214 0.46 1.3 .19-.19 1.3 1.2 .38 1.380 130 109 117 128 0.8 262335.30 62.68 11.66 0.559 -0.420 34.4 0.494 0.455 0.93 2.9-.33-.04 3.5 2.5 .35 1.500 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 154 137 145 152 1.9 741260.00 173.44 11.95 0.292 0.047 39.5 0.258 0.217 0.74-.50-2.8-.01 4.1 3.3 .46 -1.380 24 21 23 24 0.0 1089401.1 218.94 12.61 0.188 0.069 40.3 0.173 0.104 0.25-.11-1.3-.13 1.3 1.3 .28 -1.260 30 28 30 30 0.0 613010.42 166.11 12.34 0.321 0.055 34.6 0.274 0.266 0.77-.52-1.2-.12 1.2 1.2 .24 -1.140 51 49 50 50 0.0 819673.62 164.99 13.23 0.305 0.048 43.5 0.233 0.208 0.65-.04-1.1-.13 .97 1.1 .27 -1.020 53 49 52 51 0.0 824519.79 204.66 13.42 0.247 0.080 34.5 0.184 0.176 0.61 .14-.96-.10 .93 .96 .25 -0.900 79 73 79 78 0.0 655014.39 154.95 13.50 0.284 0.027 30.5 0.229 0.191 0.73-.04-.84-.05 .84 .84 .23 -0.780 124 111 113 122 0.8 709539.92 175.58 14.35 0.234 0.043 29.8 0.228 0.177 0.65 .01-.72-.06 .76 .72 .24 -0.660 183 164 168 182 0.0 619032.59 154.66 14.25 0.224 -0.029 27.9 0.188 0.185 0.65 .01-.60-.06 .48 .60 .25 -0.540 259 228 237 258 0.4 797537.09 151.07 14.76 0.236 0.026 31.1 0.236 0.182 0.56-.00-.48 .00 .57 .48 .18 -0.420 406 337 343 404 1.2 670128.44 131.30 15.05 0.254 -0.005 28.5 0.244 0.174 0.53-.00-.35-.04 .35 .36 .20 -0.300 701 492 497 699 0.1 814963.42 146.10 14.91 0.282 0.008 32.7 0.265 0.186 0.50 .00-.23-.01 .27 .24 .20 -0.180 1364 763 777 1358 0.8 943095.72 148.53 15.16 0.383 -0.006 41.7 0.373 0.200 0.50-.01-.11-.00 .23 .12 .16 -0.060 2235 866 888 2230 0.6 939616.59 147.03 15.44 0.394 -0.021 47.5 0.359 0.206 0.58 .00-.00 .00 .23 .03 .17 0.060 1090 666 673 1089 0.9 968642.00 151.31 15.07 0.358 0.039 40.1 0.342 0.196 0.52-.01 .11-.01 .24 .12 .17 0.180 568 429 433 568 1.1 754357.18 139.39 15.19 0.281 -0.017 32.0 0.265 0.179 0.53-.02 .23-.00 .36 .24 .19 0.300 324 273 279 323 0.3 781892.61 159.92 14.85 0.256 -0.038 31.9 0.257 0.167 0.48 .05 .35 .02 .37 .36 .21 0.420 208 184 186 208 0.5 788390.81 166.32 14.63 0.205 0.013 28.9 0.200 0.161 0.58-.01 .48 .01 .54 .48 .20 0.540 145 137 141 144 0.7 723397.33 162.32 13.61 0.211 -0.022 26.9 0.189 0.257 1.11-.02 .60 .02 .58 .60 .17 0.660 115 114 115 115 0.0 706714.70 164.46 13.91 0.252 -0.002 33.7 0.235 0.160 0.49 .03 .72 .04 .65 .72 .18 0.780 78 73 75 78 1.3 524234.96 147.34 13.80 0.195 0.027 24.5 0.167 0.198 0.88 .04 .84 .05 1.2 .84 .21 0.900 57 53 56 56 0.0 807113.29 177.26 14.05 0.230 0.008 31.0 0.204 0.222 0.88 .26 .95 .07 1.2 .95 .18 1.020 51 49 51 49 0.0 706237.08 170.74 14.20 0.173 0.013 26.9 0.135 0.176 1.04 .09 1.1 .08 .69 1.1 .18 1.140 35 34 35 35 0.0 745871.43 161.82 14.02 0.143 -0.027 24.9 0.113 0.162 0.69-.02 1.2 .02 1.5 1.2 .25 1.260 19 19 19 19 0.0 532336.17 160.36 13.04 0.178 -0.021 26.4 0.134 0.143 0.70-.17 1.3 .09 1.2 1.3 .19 1.380 116 108 112 116 0.0 713151.35 180.63 12.71 0.229 0.013 31.6 0.181 0.172 0.65-.06 2.1 .02 2.4 2.5 .26 1.500 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_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 1 2 1 0.0 110819.20 67.61 12.12 0.073 0.006 1.3 0.216 0.359 0.73-2.6-1.7-1.6 3.3 2.3 1.6 -1.380 1 1 1 1 0.0 128414.00 86.13 11.31 0.583 -0.583 50.2 0.000 1.167 0.00 .45-.54-1.3 .45 .54 1.3 -1.260 4 4 4 4 0.0 303092.98 98.51 13.32 0.157 -0.117 11.8 0.190 0.270 0.65 .62-.30-1.2 .74 .56 1.2 -1.140 7 7 7 7 0.0 105545.31 72.99 12.74 0.322 -0.067 17.2 0.161 0.864 4.07-.05-.39-1.1 1.0 .51 1.1 -1.020 8 7 8 8 0.0 141954.04 78.73 14.39 0.146 -0.043 11.3 0.230 0.373 1.38-.17 .00-.94 1.0 .72 .94 -0.900 12 10 12 11 0.0 317089.80 116.11 13.11 0.214 -0.134 22.3 0.270 0.212 0.56 .09-.23-.84 .37 .49 .85 -0.780 23 21 23 22 0.0 302737.44 123.68 12.89 0.204 0.124 20.6 0.114 0.348 1.43-.18-.12-.72 1.1 .47 .72 -0.660 46 40 44 46 4.3 421373.36 125.91 13.29 0.235 -0.036 26.5 0.209 0.261 1.06-.06-.36-.58 3.6 2.9 .58 -0.540 91 85 89 90 3.3 404702.42 110.42 13.28 0.434 -0.180 39.3 0.419 0.335 0.73 .32-.43-.47 2.6 1.7 .47 -0.420 173 154 159 172 1.7 558519.64 139.16 13.87 0.381 -0.027 36.5 0.369 0.203 0.45-.01-.07-.35 1.8 1.1 .35 -0.300 534 415 428 531 1.7 752202.07 147.96 14.05 0.373 -0.076 42.5 0.316 0.250 0.64-.04-.16-.22 .94 .87 .23 -0.180 1699 850 870 1696 0.5 985963.19 157.64 14.72 0.323 0.056 38.6 0.291 0.214 0.54-.01-.12-.11 .39 .49 .11 -0.060 3532 1001 1030 3525 0.3 910196.88 149.55 15.56 0.292 0.042 33.7 0.281 0.194 0.55 .00-.01-.00 .30 .33 .03 0.060 1483 795 811 1479 0.7 863099.42 153.99 14.47 0.411 -0.087 49.1 0.398 0.228 0.54-.01 .09 .11 .38 .51 .11 0.180 516 421 430 514 0.8 698878.79 143.38 14.63 0.353 -0.106 38.1 0.344 0.235 0.63-.09 .04 .23 .84 .84 .23 0.300 177 157 161 175 2.3 539692.99 120.48 14.30 0.428 -0.207 37.9 0.381 0.271 0.60-.12-.15 .35 1.5 1.3 .35 0.420 73 67 71 70 0.0 527037.07 125.66 14.28 0.360 -0.154 42.0 0.307 0.353 0.73 .12-.15 .47 1.9 1.5 .47 0.540 39 37 39 37 2.6 361436.17 92.31 13.86 0.606 -0.472 45.0 0.457 0.478 0.89 .11-.27 .59 .98 1.1 .59 0.660 19 19 19 19 0.0 332323.10 67.27 14.38 1.121 -0.873 51.9 1.322 0.434 0.40 .76-.17 .72 2.3 .88 .72 0.780 11 10 11 11 0.0 491611.92 129.91 15.53 0.092 0.056 10.2 0.160 0.057 0.27-.20 .16 .84 1.6 1.5 .84 0.900 3 3 3 3 0.0 130735.17 61.11 15.55 0.090 0.088 4.6 0.025 0.150 0.53-.31-.03 .95 .69 .43 .95 1.020 4 4 4 4 0.0 169321.77 68.80 12.91 2.134 -2.056 95.7 1.478 1.572 0.60-.33-.11 1.1 .48 .26 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 1 1 1 1 0.0 245580.00 72.40 13.28 0.046 0.046 3.3 0.014 0.210 0.95-.39 .41 1.3 .39 .41 1.3 1.380 11 9 10 11 0.0 252597.67 111.48 12.01 0.107 0.014 13.0 0.201 0.265 0.93-3.2-1.6 1.7 5.7 2.8 1.8 1.500 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 31 0 31 0 0.0 1189846.1 227.45 12.59 0.000 0.000 0.0 0.000 0.000 0.00-.36-.30-.02 1.5 .88 .46 1.000 172 68 86 172 2.3 588198.84 151.80 12.63 0.212 0.000 27.6 0.000 0.479 0.00-.51-.10-.11 2.3 1.4 .36 2.000 270 78 90 270 0.0 738994.00 178.81 12.96 0.228 -0.000 28.6 0.196 0.378 1.39-.14-.14-.01 1.9 1.0 .41 3.000 536 132 134 536 0.6 893799.34 171.88 13.76 0.274 0.000 32.9 0.255 0.199 0.70-.06-.14-.02 1.1 .96 .26 4.000 645 126 129 645 0.8 929579.22 173.01 14.15 0.364 0.000 37.2 0.356 0.195 0.52 .03-.11-.01 1.2 .95 .27 5.000 954 158 159 954 0.3 736462.26 148.13 14.70 0.254 0.000 28.2 0.226 0.167 0.62 .01-.05-.01 .73 .70 .20 6.000 1022 146 146 1022 0.3 907217.84 162.13 15.08 0.342 -0.000 37.9 0.308 0.209 0.61-.01-.03-.01 .46 .61 .18 7.000 1224 153 153 1224 0.2 1085648.8 164.81 15.84 0.357 0.000 41.4 0.336 0.132 0.39-.00-.04-.00 .33 .54 .14 8.000 846 94 94 846 0.5 1000920.5 159.64 15.83 0.384 -0.000 43.1 0.338 0.215 0.64-.01-.00 .00 .21 .45 .13 9.000 2769 206 206 2769 1.1 737297.97 124.62 14.97 0.340 -0.000 42.3 0.326 0.163 0.42 .03-.00 .00 .32 .37 .14 10.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 8469 1161 1228 8438 0.6 857620.91 150.04 14.90 0.333 -0.000 38.4 0.313 0.198 0.57-.01-.04-.01 .74 .64 .19 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 1312 131 132 1311 1.4 1532209.3 178.36 12.58 0.641 -0.000110.1 0.599 0.213 0.43-.01-.02-.01 .29 .28 .15 1.743 1456 124 126 1455 1.3 894812.17 114.30 14.39 0.412 -0.000 45.3 0.387 0.256 0.47 .02-.01 .01 .34 .42 .13 1.384 980 116 124 975 0.6 989185.92 177.81 17.21 0.148 -0.000 22.1 0.127 0.165 0.99 .10 .00 .00 .40 .44 .13 1.209 878 106 112 877 0.0 951847.48 169.08 17.04 0.128 0.000 19.1 0.118 0.131 0.88 .02 .01 .00 .14 .40 .13 1.098 924 126 128 924 0.2 807365.45 156.88 16.49 0.133 -0.000 18.0 0.120 0.126 0.86-.07-.03-.00 .19 .54 .14 1.020 836 122 124 836 0.0 599958.98 135.27 15.62 0.143 -0.000 17.0 0.135 0.130 0.75-.06-.03 .00 .26 .54 .16 0.960 691 117 117 691 1.0 538215.45 134.29 14.86 0.152 0.000 17.5 0.138 0.127 0.68-.00-.04-.01 .58 .82 .20 0.911 605 119 120 605 0.0 398043.40 122.27 13.73 0.172 0.000 18.7 0.153 0.221 0.98 .02-.15-.02 .91 .96 .24 0.872 495 116 127 490 0.4 398160.54 133.59 13.20 0.226 0.000 26.4 0.204 0.312 0.92 .02-.14-.01 1.6 1.2 .36 0.838 292 84 118 274 0.0 299924.93 131.25 12.13 0.265 -0.000 30.1 0.178 0.562 1.66-.46-.23-.07 2.7 1.4 .48 0.809 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 365 105 109 363 15.1 12397.624 7.60 13.85 2.222 -2.106 12.6 2.111 1.343 0.59-.28-.13 .00 1.9 1.1 .38 26562.500 323 133 134 323 0.0 39209.787 17.71 14.20 1.904 -1.774 21.3 1.919 0.801 0.56 .02-.02-.02 1.2 .56 .20 53125.000 575 217 223 574 0.0 78184.108 26.12 13.91 2.363 -2.234 41.3 2.333 0.778 0.47-.00-.02-.00 1.0 .91 .21 106250.000 946 319 332 941 0.0 156521.93 50.99 14.69 1.111 -0.970 37.4 1.049 0.680 0.57 .03-.06-.00 .81 .75 .21 212500.000 1520 422 440 1515 0.0 312879.62 79.33 14.70 0.703 -0.565 39.4 0.664 0.488 0.53-.01-.05-.01 .75 .66 .22 425000.000 1975 473 485 1968 0.0 623353.47 122.22 15.32 0.375 -0.213 37.4 0.346 0.334 0.51-.02-.04-.00 .56 .60 .17 850000.000 1685 356 365 1681 0.0 1195842.0 170.21 15.99 0.205 0.007 34.9 0.194 0.171 0.50 .02-.03-.00 .29 .46 .15 1700000.0 828 198 211 824 0.0 2291160.6 217.31 14.78 0.185 0.133 44.0 0.170 0.172 0.65 .01-.01-.01 .22 .46 .12 3400000.0 194 67 75 191 0.0 4633670.1 226.86 11.75 0.342 0.330 90.7 0.326 0.212 0.50-.04-.04-.01 .36 .51 .11 6800000.0 58 25 25 58 0.0 9228775.9 285.46 11.02 0.456 0.456137.5 0.431 0.205 0.44 .02-.02-.03 .19 .16 .11 1.36000e7 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 55 23 23 55100.0 855.079 0.30 12.92 9.075-24.267 8.4 8.526 5.365 0.59-.12-.14-.04 .90 .69 .25 1.975 33 26 26 33 0.0 10927.091 2.87 12.8112.141-12.137 21.611.589 2.697 0.43 .09-.06 .03 1.2 .50 .38 3.902 98 57 57 98 0.0 26245.927 5.83 12.23 8.815 -8.794 34.0 8.429 2.202 0.46 .13-.04 .05 1.1 .62 .28 7.707 239 120 121 239 0.0 48728.870 11.08 12.43 6.999 -6.942 52.2 6.797 1.772 0.48 .01-.05 .03 .00 .65 .34 15.225 483 182 188 480 0.0 90734.135 23.07 13.40 3.307 -3.199 54.1 3.278 1.001 0.38-.11-.07-.01 1.8 1.1 .25 30.073 1025 329 335 1025 0.0 180523.28 45.06 14.19 1.814 -1.680 52.8 1.633 0.884 0.52-.02-.05-.00 .83 .70 .18 59.405 2330 639 664 2321 0.0 425275.22 88.71 14.88 0.504 -0.277 33.1 0.470 0.341 0.48 .02-.05-.01 .65 .62 .20 117.343 3324 711 740 3312 0.0 1095065.2 168.82 15.81 0.198 0.085 28.1 0.184 0.192 0.58-.02-.03-.01 .54 .55 .18 231.790 835 281 302 828 0.0 2590593.6 287.83 14.51 0.247 0.210 58.9 0.234 0.179 0.55-.01-.00-.00 .27 .59 .13 457.858 47 39 39 47 0.0 4801510.6 592.99 11.98 0.312 0.312178.1 0.305 0.230 0.48-.25-.26 .01 .76 .87 .16 904.414 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 795 537 546 795 0.0 780852.90 148.29 15.47 0.015 0.002 2.0 0.057 0.131 0.67-.00-.03 .01 .51 .57 .18 0.030 803 534 546 803 0.0 790174.15 153.70 15.76 0.046 0.007 6.2 0.066 0.141 0.74-.01-.04-.01 .54 .55 .18 0.060 719 503 511 719 0.1 741571.07 147.46 15.67 0.076 0.014 10.0 0.081 0.133 0.63-.01-.02-.01 .82 .57 .18 0.090 807 552 558 807 0.1 832618.95 156.35 15.87 0.105 0.031 14.7 0.093 0.132 0.67-.01-.00 .01 .48 .48 .19 0.120 675 483 489 675 0.0 801566.31 152.64 15.55 0.135 0.052 18.5 0.116 0.141 0.64-.05-.03-.00 .78 .54 .21 0.150 635 467 472 635 0.0 835301.80 161.45 15.50 0.164 0.066 23.6 0.139 0.155 0.63-.04-.02-.01 .49 .56 .17 0.180 574 434 442 574 0.0 800191.92 152.09 15.57 0.196 0.080 27.0 0.176 0.156 0.58-.06-.04-.01 .71 .57 .17 0.210 510 383 391 510 0.0 853622.99 156.19 15.26 0.226 0.129 31.9 0.200 0.146 0.54-.00-.04-.02 .70 .64 .17 0.240 425 337 341 425 0.0 878404.07 161.25 15.51 0.254 0.154 36.5 0.226 0.186 0.67-.03-.08-.01 .75 .79 .20 0.270 353 283 289 353 0.3 961603.24 156.87 15.00 0.285 0.185 41.3 0.251 0.172 0.53-.06-.03-.02 .57 .52 .16 0.300 301 246 248 301 0.0 988329.44 161.49 15.03 0.314 0.221 45.9 0.269 0.198 0.56 .05-.09-.02 .70 .76 .17 0.330 199 180 181 199 0.0 1268858.5 186.82 14.89 0.345 0.247 52.2 0.284 0.234 0.64-.04-.08-.00 1.0 .78 .20 0.360 182 159 161 182 0.0 1526535.2 177.37 13.99 0.374 0.291 54.3 0.313 0.231 0.57-.06-.11-.01 .78 .95 .14 0.390 136 122 124 136 0.0 1725191.5 182.49 13.76 0.406 0.322 61.6 0.374 0.197 0.45-.08-.09 .01 1.2 .89 .20 0.420 105 86 86 105 1.0 2747807.8 215.24 13.08 0.436 0.397 71.9 0.407 0.189 0.43 .04 .02-.01 .36 .39 .13 0.450 101 86 88 101 0.0 2582171.2 205.09 12.97 0.463 0.409 68.6 0.425 0.184 0.37-.02-.07-.03 .62 .56 .22 0.480 60 57 57 60 0.0 2128261.9 220.67 13.06 0.493 0.436 66.4 0.464 0.169 0.38 .24-.18-.04 2.3 1.1 .26 0.510 36 30 31 36 2.8 1619531.6 237.40 13.90 0.528 0.426 52.7 0.505 0.244 0.53-.01-.11-.07 .67 .66 .23 0.540 33 32 32 33 3.0 1321329.3 216.41 13.04 0.553 0.420 56.3 0.527 0.199 0.43-.25 .04-.01 1.6 1.3 .22 0.570 989 452 459 989 5.0 248370.56 47.07 11.68 3.954 -3.721145.9 3.719 1.379 0.47 .08-.04 .00 .96 .79 .24 0.600 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_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 1075 534 543 1075 4.7 214824.91 43.46 11.86 4.148 -4.149136.9 3.946 1.217 0.49 .06-.05 .00 .95 .75 .25 -0.460 51 49 49 51 2.0 303363.91 103.64 14.67 0.439 -0.439 35.1 0.343 0.267 0.86 .05 .02-.03 .49 .46 .18 -0.420 80 75 78 80 0.0 412120.31 120.06 13.97 0.401 -0.401 38.4 0.321 0.256 0.85-.04-.27-.02 1.3 1.5 .23 -0.380 107 100 101 107 0.0 443991.74 121.28 15.29 0.358 -0.358 34.3 0.269 0.214 0.83-.02-.08-.02 .85 .85 .17 -0.340 119 112 114 119 0.0 461084.06 126.19 14.98 0.317 -0.317 32.2 0.240 0.234 0.97 .05-.05-.04 .48 .53 .19 -0.300 169 156 159 169 0.0 489678.41 130.79 14.93 0.279 -0.279 29.4 0.224 0.208 0.87 .03-.05-.03 .68 .69 .22 -0.260 210 189 193 210 0.0 566526.09 136.62 15.03 0.238 -0.238 25.9 0.209 0.197 0.85-.04-.02-.00 1.0 .85 .21 -0.220 277 249 251 277 0.0 581803.09 136.68 15.45 0.198 -0.198 22.3 0.158 0.166 0.80-.03-.05-.03 .36 .48 .16 -0.180 316 272 274 316 0.0 663264.77 145.34 15.60 0.159 -0.159 19.5 0.139 0.168 0.81 .00-.04-.01 .57 .62 .18 -0.140 377 318 324 377 0.0 719791.09 152.23 15.60 0.118 -0.118 15.0 0.108 0.149 0.80-.04-.06 .00 .66 .56 .23 -0.100 440 353 357 440 0.2 688325.08 141.41 15.70 0.081 -0.081 10.1 0.085 0.132 0.66 .01-.02 .00 .57 .53 .16 -0.060 490 385 391 490 0.0 739472.75 149.03 15.45 0.040 -0.040 5.2 0.065 0.135 0.72 .02-.07-.01 .66 .64 .16 -0.020 519 401 407 519 0.0 787726.42 147.91 15.44 0.010 -0.000 1.3 0.057 0.131 0.66-.01-.01 .02 .52 .59 .20 0.020 589 434 449 589 0.0 821929.11 155.20 15.92 0.041 0.041 5.6 0.064 0.139 0.73-.02-.03 .00 .38 .46 .18 0.060 551 410 417 551 0.0 819481.83 152.09 15.81 0.082 0.082 11.5 0.082 0.122 0.60-.04-.01-.00 .88 .59 .19 0.100 610 446 448 610 0.2 878508.06 158.69 15.79 0.119 0.119 17.4 0.100 0.130 0.65-.04-.00-.00 .67 .46 .20 0.140 542 416 421 542 0.0 932373.88 166.71 15.40 0.159 0.159 24.6 0.135 0.138 0.56-.04-.01-.01 .46 .50 .17 0.180 461 351 359 461 0.0 911683.76 154.76 15.63 0.200 0.200 30.2 0.191 0.146 0.52-.08-.04-.01 .81 .65 .18 0.220 421 328 333 421 0.0 1100895.4 174.42 15.40 0.240 0.240 40.3 0.210 0.159 0.57-.00-.06-.01 .66 .70 .16 0.260 324 252 257 324 0.3 1113508.7 161.72 15.32 0.281 0.281 44.5 0.253 0.157 0.49-.07-.04-.02 .47 .44 .16 0.300 250 198 199 250 0.0 1296154.4 180.33 15.09 0.319 0.319 55.6 0.281 0.187 0.51 .03-.10 .00 .82 .79 .15 0.340 156 119 119 156 0.0 2097715.5 190.18 13.82 0.361 0.361 62.9 0.301 0.250 0.61-.07-.01-.01 .86 .59 .17 0.380 106 86 86 106 0.0 2602051.7 193.28 13.57 0.401 0.401 77.3 0.364 0.198 0.45-.09-.13 .02 1.1 .82 .16 0.420 89 62 63 89 0.0 4190223.3 223.46 12.07 0.440 0.440 93.3 0.414 0.200 0.41-.00-.01-.01 .22 .33 .12 0.460 109 75 75 109 0.9 3717633.9 234.96 12.66 0.510 0.510 85.3 0.478 0.171 0.39 .20-.00-.04 1.9 1.2 .23 0.500 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 319 250 251 319 2.5 407530.33 90.33 15.10 0.005 0.000 0.5 0.065 0.143 0.70-.01-.07 .01 .69 .66 .23 1.000 306 251 255 306 1.0 464624.12 105.50 15.36 0.014 0.002 1.5 0.060 0.133 0.65-.09-.04 .01 1.4 .81 .22 2.000 283 238 243 283 3.5 449534.93 103.12 15.42 0.024 -0.002 2.5 0.058 0.123 0.68-.05-.06 .01 1.0 .59 .23 3.000 303 247 250 303 1.0 484397.27 109.87 15.09 0.031 0.003 3.4 0.066 0.128 0.62-.04-.10-.01 .95 .79 .21 4.000 254 217 220 254 0.4 535163.22 112.27 15.53 0.040 0.014 4.5 0.066 0.134 0.67-.00-.02-.00 .45 .46 .19 5.000 251 213 214 251 1.2 498824.80 117.50 15.36 0.047 0.005 5.5 0.071 0.130 0.64 .01-.03-.01 .48 .58 .18 6.000 268 237 240 268 1.5 513385.73 114.98 15.47 0.056 -0.001 6.5 0.069 0.121 0.60-.10-.02 .00 .80 .53 .23 7.000 255 220 223 255 1.2 504873.67 117.08 15.68 0.064 0.012 7.5 0.083 0.144 0.66-.01-.00 .00 .36 .45 .20 8.000 201 174 176 201 1.0 505602.23 123.00 15.63 0.069 0.013 8.5 0.089 0.139 0.75 .00-.05-.01 1.2 .55 .18 9.000 241 211 213 241 0.4 521760.87 121.65 15.61 0.078 0.010 9.5 0.081 0.139 0.73-.01-.01-.02 .55 .49 .18 10.000 208 189 191 208 0.0 576422.22 128.58 15.84 0.082 0.014 10.5 0.077 0.137 0.65 .02-.07-.01 .68 .51 .18 11.000 222 206 208 222 0.0 585890.90 126.72 15.13 0.091 0.023 11.5 0.098 0.139 0.65-.05-.05-.02 .91 .66 .28 12.000 211 183 184 211 0.5 546581.46 113.87 15.50 0.110 0.039 12.5 0.097 0.144 0.65-.03-.05 .01 .51 .66 .18 13.000 205 184 187 205 0.0 642499.88 132.66 15.26 0.102 0.026 13.5 0.100 0.136 0.67 .03-.01 .01 .68 .60 .18 14.000 184 168 170 184 1.1 614191.06 135.21 15.59 0.107 0.018 14.5 0.098 0.118 0.60-.02-.04 .00 .44 .52 .23 15.000 181 164 167 181 1.7 700196.58 139.75 15.18 0.111 0.027 15.5 0.097 0.132 0.65 .04 .04 .00 .87 1.1 .23 16.000 177 167 168 177 0.6 694704.97 140.15 15.71 0.118 0.022 16.5 0.113 0.146 0.67 .01 .05-.01 .26 .45 .17 17.000 158 145 146 158 0.6 794095.55 144.00 15.83 0.122 0.033 17.5 0.108 0.140 0.63 .07-.06-.01 .91 .91 .18 18.000 174 155 155 174 2.3 717902.78 143.01 15.47 0.130 0.019 18.5 0.114 0.145 0.72-.06 .01-.00 .30 .36 .16 19.000 168 153 153 168 0.6 634233.76 139.43 16.14 0.140 0.028 19.5 0.117 0.140 0.63-.08-.06-.00 .56 .59 .23 20.000 135 124 127 135 0.0 708867.22 126.59 15.30 0.162 0.060 20.5 0.151 0.133 0.54-.09-.08-.01 .33 .54 .16 21.000 122 117 118 122 0.0 787313.14 145.18 15.58 0.148 0.051 21.5 0.151 0.141 0.60-.13-.05-.02 .60 .60 .17 22.000 119 107 107 119 0.0 737607.39 148.48 15.46 0.151 0.047 22.5 0.124 0.120 0.59 .05 .05-.02 .44 .51 .19 23.000 111 106 106 111 0.0 819526.33 138.56 15.88 0.169 0.088 23.5 0.147 0.131 0.56 .03 .03-.00 .31 .40 .16 24.000 3382 859 882 3382 0.1 1282720.7 175.64 14.08 0.497 -0.014 80.7 0.458 0.221 0.56 .01-.05-.01 .70 .66 .17 25.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8469 1161 1228 8438 0.6 857620.91 150.04 14.90 0.333 -0.000 38.4 0.313 0.198 0.57-.01-.04-.01 .74 .64 .19 1.000 Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 437 89 98 432 7.6 770462.46 153.54 14.24 0.371 -0.000 37.4 0.332 0.315 1.11-.00-.05-.01 .65 .83 .20 1.000 Coverage Statistics Integration of gore001 ...1.1(1): component 1 in sample 1 (component 1 in gore001_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.743 132 132 100.00 9.94 0.641 131 99.24 0.641 178.36 1.4 to 1.384 258 259 99.61 10.73 0.551 255 98.46 0.412 114.30 1.3 to 1.209 382 383 99.74 9.81 0.461 371 96.87 0.148 177.81 0.6 to 1.098 494 496 99.60 9.36 0.407 477 96.17 0.128 169.08 0.0 to 1.020 622 624 99.68 8.92 0.372 603 96.63 0.133 156.88 0.2 to 0.960 746 748 99.73 8.56 0.354 725 96.93 0.143 135.27 0.0 to 0.911 863 865 99.77 8.20 0.342 842 97.34 0.152 134.29 1.0 to 0.872 983 985 99.80 7.81 0.337 961 97.56 0.172 122.27 0.0 to 0.838 1110 1113 99.73 7.37 0.334 1077 96.77 0.226 133.59 0.4 to 0.809 1228 1231 99.76 6.90 0.333 1161 94.31 0.265 131.25 0.0 Local LS refinement averages ============== 06/17/2021 13:35:56 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: 40 Averaged orientation ('UB') matrix: 0.1657803 0.0269765 0.0319934 -0.0265159 0.0202428 -0.1502243 -0.0904246 0.0435215 0.0500413 Weighted average cell constants: A B C Alpha Beta Gamma Vol 5.3091 18.1650 6.2658 90.000 98.893 90.000 597.00 0.0001 0.0003 0.0001 0.000 0.001 0.000 0.03 Std deviations of the 40 input local LS results: 0.0048 0.0150 0.0035 0.000 0.046 0.000 0.95 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 9.0851 0.8099 9.735 144.315 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 -0.8441 0.0399 -0.0037 -0.2233 -0.1765 0.5295 Unconstrained global unit cell refinement ============== 06/17/2021 13:35:56 Performing final unit cell least squares on file /smb/isengard/data/gore001/work/gore001_01._ma Input file contains 8263 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 (8263 input reflections)... Frame rows, columns: 1024 1536 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): 0.2200 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) 8263 72 8191 9.0907 0.8106 9.729 144.000 Orientation ('UB') matrix: 0.1655186 0.0270118 0.0316217 -0.0267680 0.0201073 -0.1502910 -0.0905195 0.0434877 0.0497576 A B C Alpha Beta Gamma Vol 5.31194 18.18147 6.26951 89.9774 98.8883 89.9831 598.23 0.00003 0.00011 0.00004 0.0001 0.0001 0.0001 0.01 Corrected for goodness of fit: 0.00039 0.00135 0.00046 0.0016 0.0016 0.0017 0.08 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): -176.108 67.259 -148.996 Goniometer zeros (deg): 0.0000* -0.0224 0.0000* -0.0332 (*=never refined) Crystal translations (pixels): -0.1395 0.0169 0.3240 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.6434 -0.3962 0.0041 -0.2985 -0.1621 0.5959 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.22379e+07 3.42172e+06 12.28 3 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 8191 8191 6314 Average input ESD (pix, pix, deg): 0.14110 0.13350 0.06347 Goodness of fit: 10.55917 16.34824 7.11115 Highest-magnitude correlations: 1 0.60445 Z-Translation1 / Y-Center1 2 0.49668 EuChi1 / Alpha1 New orientation is in /smb/isengard/data/gore001/work/gore001_0u.p4p Constrained global unit cell refinement ================= 06/17/2021 13:35:57 Performing final unit cell least squares on file /smb/isengard/data/gore001/work/gore001_01._ma Input file contains 8263 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 (8263 input reflections)... Frame rows, columns: 1024 1536 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): 0.2200 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) 8263 72 8191 9.0910 0.8105 9.729 144.020 Orientation ('UB') matrix: 0.1655299 0.0270234 0.0316342 -0.0267584 0.0200929 -0.1502799 -0.0905026 0.0434853 0.0497800 A B C Alpha Beta Gamma Vol 5.31192 18.18194 6.26953 90.0000 98.8875 90.0000 598.25 0.00003 0.00011 0.00004 0.0000 0.0001 0.0000 0.01 Corrected for goodness of fit: 0.00040 0.00136 0.00046 0.0000 0.0016 0.0000 0.08 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): -176.115 67.271 -149.005 Goniometer zeros (deg): 0.0000* -0.0219 0.0000* -0.0326 (*=never refined) Crystal translations (pixels): -0.1795 0.0359 0.3279 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.6336 -0.4005 0.0042 -0.3009 -0.1628 0.5968 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.57717e+06 3.47881e+06 12.39 2 0 2 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 8191 8191 6314 Average input ESD (pix, pix, deg): 0.14110 0.13350 0.06347 Goodness of fit: 10.28646 16.72046 7.14263 Highest-magnitude correlations: 1 0.60287 Z-Translation1 / Y-Center1 2 0.45814 Distance1 / B1 New orientation is in /smb/isengard/data/gore001/work/gore001_0m.p4p End global unit cell refinement ========================= 06/17/2021 13:35:58