SAINT V8.30C saint th-Bwa.slm /BATCH /CONFIG:th-Bwa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:4 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 19 Total topped/rescanned pixels: 175 Minimum pixel ceiling(frame): 55000(marc_01_0001.sfrm) Maximum pixel ceiling(frame): 55000(marc_01_0001.sfrm) Total spots predicted: 10943 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 6* Spots outside active detector area: 655* Outside frame limits: 110* Spots exceeding frame queue size: 11* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 26* Spots with too many spot components: 0* Spots with large Lorentz factor: 1* 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: 10129 Total spot components written: 10129 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 10129 Twin overlaps written: 0 Average Intensity: 2314.018 Average I/sigma: 17.364 % over "strong" threshold: 28.05 % less than 2 sigma: 32.15 % which spanned more than 1 frame: 61.54 Average X,Y,Z positional errors: 0.04 -0.01 0.01 RMS X,Y,Z positional errors: 0.45 0.35 0.19 % X,Y,Z more than 0.5 pixel: 19.53 12.63 2.30 % X,Y,Z more than 1.0 pixel: 4.32 1.96 0.11 Avg % profile volume populated: 99.22 Avg % profile volume integrated: 38.36 Avg % profile missing I: 0.66 Avg % profile missing volume: 0.78 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 77.78 Max % intensity on XYZ boundaries: 5.08 3.84 1.29 Average spot-shape correlation: 0.708 RMS spot-shape correlation: 0.787 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.262 0.229 2189 1.0 2.0 0.622 0.142 1067 2.0 4.0 0.837 0.074 1664 4.0 8.0 0.914 0.052 1710 8.0 16.0 0.939 0.031 1757 16.0 32.0 0.947 0.030 1124 32.0 64.0 0.949 0.034 400 64.0 128.0 0.948 0.036 193 128.0 256.0 0.945 0.036 25 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: 10129 LS-fit intensities scaled: 6630 Full overlaps included in above: 0 Rejected due to poor spot shape: 22 Unwritable (I, sigma too large): 0 Number written: 10107 Sorting Reflection File ============================== 07/10/2013 16:53:59 Integration of marc Merging input files 1 /home/isengard/data/marc/work/marc_01.raw 2 /home/isengard/data/marc/work/marc_02.raw Merging to output file: /home/isengard/data/marc/work/marc_0m.raw 5053 spot components in 5053 spots read from file 1--/home/isengard/data/marc/work/marc_01.raw 5054 spot components in 5054 spots read from file 2--/home/isengard/data/marc/work/marc_02.raw 10107 spot components in 10107 spots written to file /home/isengard/data/marc/work/marc_0m.raw Computing Reflection File Statistics ========== 07/10/2013 16:54:00 Integration of marc ................................................................................... Statistics for reflections in marc_0m.raw File is in BrukerAXS area detector ASCII format Number of lines read (incl comments) = 10107 Number of reflection records read = 10107 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 10107 Number of spot components used = 10107 ................................................................................... Integration of marc Statistics for sample 1 of 1 in marc_0m.raw Lattice: C (C-centered) Point group "2/m(B-unique)", #3 (internal number) 4 symmetry operators 1 0 0 -1 0 0 -1 0 0 1 0 0 0 1 0 0 1 0 0-1 0 0-1 0 0 0 1 0 0-1 0 0-1 0 0 1 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents. Components in the sample map (* marks current component) Component Wanted A B C Alpha Beta Gamma PointGp Constraints 1.1(1)* Y 24.558 7.245 17.665 90.000 101.449 90.000 2/mB Monoclinic B-uniq Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_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 4 4 4 4 0.0 8810.102 139.78 2.51 0.087 0.087 9.8 0.074 0.041 0.65 .13 .01-.11 .16 .03 .72 32.000 54 48 52 52 18.5 3902.212 79.72 2.26 0.051 0.035 2.5 0.061 0.050 0.61-.05 .00 .18 .35 .26 .38 64.000 165 127 137 163 13.9 9996.043 81.48 2.30 0.051 0.005 2.6 0.045 0.047 0.75-.04-.01 .07 .28 .22 .20 96.000 274 210 225 270 15.3 11783.207 73.77 2.26 0.042 0.005 1.8 0.034 0.055 1.00-.02-.04 .04 .30 .27 .19 128.000 431 311 323 429 12.5 8225.334 51.29 2.21 0.051 -0.007 1.6 0.044 0.061 1.01-.02-.01 .03 .28 .24 .16 160.000 560 390 401 556 15.7 5704.626 37.64 2.20 0.049 0.001 1.1 0.043 0.062 0.99-.01-.03 .02 .28 .26 .18 192.000 712 484 494 708 19.9 3411.433 24.54 2.17 0.048 -0.003 0.8 0.040 0.067 1.34 .01-.02 .00 .33 .28 .17 224.000 884 601 615 874 19.6 2455.330 17.76 2.16 0.050 -0.004 0.7 0.043 0.074 1.23-.02 .01 .02 .32 .30 .18 256.000 948 633 668 923 23.5 1994.012 14.34 2.16 0.054 -0.001 0.6 0.045 0.080 1.32 .02-.01 .01 .33 .32 .17 288.000 1092 656 733 1046 22.2 1800.280 12.23 2.16 0.057 0.003 0.5 0.051 0.089 1.30 .01-.01 .01 .36 .31 .16 320.000 1142 651 772 1079 32.2 995.672 7.73 2.13 0.065 -0.001 0.4 0.063 0.099 1.22 .04 .00 .01 .45 .35 .18 352.000 1154 631 801 1078 42.3 609.932 5.19 2.12 0.083 0.001 0.4 0.073 0.127 1.23 .03 .00 .02 .53 .39 .21 384.000 1211 615 841 1098 50.0 485.073 4.06 2.11 0.091 0.001 0.4 0.080 0.156 1.32 .08-.01 .01 .57 .41 .21 416.000 1036 486 704 932 52.4 394.982 3.25 2.10 0.106 -0.003 0.3 0.094 0.173 1.40 .12-.01 .00 .62 .42 .22 448.000 440 201 305 387 57.7 371.678 2.99 2.10 0.131 -0.002 0.4 0.130 0.208 1.26 .17-.03 .00 .66 .39 .21 480.000 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 marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 309 265 298 276 35.0 1152.308 10.14 2.12 0.058 0.001 0.5 0.045 0.090 1.20 .08-.04 .02 .45 .47 .24 32.000 463 395 442 417 35.2 1231.572 10.65 2.12 0.060 0.003 0.5 0.043 0.091 1.21 .05-.02 .02 .41 .38 .23 64.000 560 483 528 517 36.6 1422.886 11.90 2.12 0.060 -0.010 0.6 0.046 0.087 1.24 .03-.03 .02 .42 .39 .21 96.000 616 526 581 564 33.6 2258.016 17.14 2.13 0.053 -0.012 0.6 0.047 0.077 1.09 .05-.01 .02 .46 .36 .19 128.000 701 601 659 645 32.4 2244.872 16.48 2.15 0.044 -0.007 0.6 0.038 0.071 1.26 .07-.01 .01 .45 .35 .19 160.000 739 620 692 671 31.5 2581.691 18.69 2.16 0.048 -0.010 0.7 0.043 0.073 1.13 .05 .02 .01 .46 .31 .18 192.000 800 647 743 733 32.0 2576.951 18.51 2.16 0.054 0.006 0.7 0.053 0.078 1.09 .02 .01 .01 .48 .31 .18 224.000 799 642 751 744 30.8 2970.813 20.87 2.17 0.052 0.005 0.7 0.053 0.064 0.95 .02 .00 .01 .47 .29 .17 256.000 821 629 759 782 30.3 3172.025 21.65 2.18 0.044 -0.004 0.7 0.049 0.060 1.07 .01-.02 .00 .51 .31 .19 288.000 805 582 686 790 32.3 3343.301 22.82 2.19 0.052 -0.009 0.7 0.040 0.069 1.27 .00-.04 .01 .46 .33 .18 320.000 759 585 676 745 29.8 2380.877 17.17 2.17 0.055 -0.002 0.7 0.042 0.075 1.17 .02-.04 .02 .44 .31 .17 352.000 709 557 639 703 32.7 2710.918 20.08 2.16 0.062 0.005 0.8 0.044 0.071 1.15 .03-.01 .01 .44 .33 .18 384.000 639 515 584 634 30.0 2236.754 17.00 2.14 0.065 0.018 0.8 0.044 0.077 1.14 .07-.03 .03 .43 .32 .17 416.000 576 476 534 571 30.7 1663.512 13.50 2.12 0.067 0.013 0.7 0.045 0.084 1.26 .06 .00 .01 .41 .34 .21 448.000 491 415 467 488 33.0 1157.004 10.28 2.10 0.065 0.028 0.6 0.045 0.089 1.26 .01 .06 .03 .44 .42 .22 480.000 320 278 311 319 35.3 966.572 9.16 2.09 0.063 0.018 0.5 0.048 0.089 1.23 .07 .05 .03 .45 .44 .21 512.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 201 168 172 198 17.9 2207.515 15.80 2.19 0.049 -0.000 0.6 0.047 0.072 1.33-.01-.01 .02 .34 .29 .15 30.000 581 439 467 566 22.0 2621.614 18.07 2.19 0.046 0.002 0.6 0.049 0.073 1.35-.01-.00 .00 .35 .26 .16 60.000 917 670 733 886 17.7 3410.518 21.34 2.19 0.049 0.002 0.7 0.049 0.070 1.17-.01-.01 .01 .36 .27 .15 90.000 1229 885 978 1193 23.4 3009.873 20.20 2.18 0.053 -0.007 0.7 0.047 0.071 1.08-.00-.01 .01 .40 .30 .16 120.000 1455 1009 1153 1393 29.9 3538.952 24.40 2.17 0.051 -0.004 0.8 0.042 0.067 1.10 .00-.01 .02 .44 .31 .18 150.000 1616 1130 1313 1529 34.8 2065.210 16.31 2.15 0.054 -0.007 0.7 0.040 0.073 1.25 .06-.01 .01 .48 .35 .19 180.000 1718 1184 1426 1599 38.4 1870.402 14.89 2.13 0.059 0.004 0.6 0.041 0.074 1.10 .06-.01 .01 .48 .36 .20 210.000 1417 1029 1215 1330 40.2 1232.120 10.65 2.11 0.067 0.013 0.6 0.053 0.078 0.98 .09-.01 .02 .50 .39 .21 240.000 788 612 728 735 41.1 1115.909 10.22 2.10 0.067 0.022 0.6 0.049 0.093 1.27 .08 .03 .03 .47 .41 .24 270.000 185 140 173 170 49.7 1090.685 10.49 2.11 0.062 0.026 0.7 0.052 0.077 0.99 .08-.07 .04 .66 .63 .32 300.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1555 712 745 1548 14.9 5753.379 38.55 2.21 0.051 0.004 1.3 0.041 0.060 1.08-.02-.03 .03 .30 .26 .18 2.000 3565 1613 2000 3484 38.7 937.748 7.41 2.13 0.069 -0.001 0.4 0.053 0.095 1.25 .05-.01 .01 .50 .38 .19 3.000 1529 894 916 1508 19.7 4915.999 35.79 2.18 0.046 -0.005 1.0 0.042 0.064 1.11-.01 .00 .02 .31 .29 .19 4.000 3458 1961 2454 3059 38.9 1016.263 7.82 2.13 0.065 0.002 0.4 0.061 0.106 1.30 .07-.01 .01 .50 .37 .20 5.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1827 1064 1165 1774 19.3 3037.813 19.85 2.19 0.049 -0.000 0.7 0.050 0.071 1.19-.01-.01 .01 .35 .27 .15 2.000 1326 754 1054 1204 49.5 489.282 4.02 2.12 0.099 -0.006 0.4 0.083 0.145 1.29 .07-.01 .00 .63 .37 .21 3.000 1769 981 1255 1739 44.9 632.958 5.29 2.11 0.082 0.002 0.4 0.067 0.118 1.25 .07 .01 .01 .53 .41 .20 4.000 1103 679 710 1103 21.2 1834.051 14.00 2.14 0.058 0.005 0.6 0.041 0.074 1.25 .02-.02 .02 .33 .32 .17 5.000 557 329 354 554 11.0 7301.220 50.12 2.22 0.055 0.013 1.8 0.039 0.059 1.05-.03-.02 .05 .28 .23 .21 6.000 255 108 125 247 14.9 13700.633 74.30 2.35 0.044 -0.002 2.3 0.046 0.042 0.72-.00-.02 .01 .28 .21 .19 7.000 557 379 379 557 19.0 5688.213 45.50 2.18 0.043 -0.013 1.2 0.035 0.062 1.12-.02-.02 .03 .30 .28 .20 8.000 1075 778 830 1023 27.4 1938.129 14.83 2.13 0.052 -0.008 0.6 0.041 0.084 1.30 .03 .02 .01 .36 .37 .20 9.000 1638 1065 1322 1398 43.8 712.199 5.63 2.12 0.076 0.000 0.4 0.076 0.131 1.30 .09-.02 .01 .53 .39 .21 10.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 509 373 493 484 33.8 2009.693 15.11 2.16 0.116 -0.017 1.2 0.098 0.093 0.89 .03 .02-.04 .42 .32 .21 15.846 504 370 479 484 30.4 2250.266 16.13 2.17 0.094 -0.013 1.1 0.073 0.090 1.08 .08 .02-.01 .41 .33 .19 30.691 500 393 473 489 32.4 2192.519 15.95 2.16 0.076 0.000 0.8 0.061 0.079 1.06 .06-.01 .02 .43 .32 .19 45.537 507 390 479 467 37.1 2588.996 18.95 2.16 0.066 0.034 0.8 0.056 0.066 1.07 .14 .02 .02 .46 .35 .20 60.382 495 376 475 421 41.0 2050.332 16.11 2.16 0.055 0.039 0.7 0.051 0.064 1.19 .11 .01 .04 .47 .39 .21 75.228 505 473 482 497 38.0 2567.331 19.74 2.16 0.048 0.031 0.6 0.039 0.071 1.23 .10-.04 .07 .50 .35 .21 90.073 507 481 485 504 31.2 2608.154 19.23 2.16 0.047 0.025 0.6 0.036 0.071 1.06 .17-.02 .07 .46 .34 .19 104.919 503 473 474 502 26.2 2210.690 15.72 2.15 0.046 0.022 0.6 0.034 0.068 1.16 .21-.02 .08 .45 .32 .20 119.764 510 477 479 508 30.4 1993.265 15.27 2.15 0.046 0.014 0.5 0.036 0.080 1.20 .17-.04 .03 .48 .41 .18 134.610 508 472 473 507 28.1 2130.509 15.94 2.15 0.043 0.007 0.5 0.035 0.067 0.98 .13-.00 .05 .45 .34 .20 149.455 514 486 487 514 30.0 2616.358 19.19 2.16 0.036 -0.001 0.5 0.037 0.057 0.88 .03-.00 .02 .39 .35 .20 164.301 500 474 474 500 28.6 2043.258 15.41 2.15 0.041 -0.014 0.5 0.038 0.066 1.01 .02 .01 .03 .44 .35 .18 179.146 514 477 480 511 29.8 2929.345 21.35 2.15 0.043 -0.014 0.6 0.039 0.070 1.33 .01 .04 .01 .43 .32 .18 193.992 496 428 447 484 31.5 2273.144 17.11 2.14 0.049 -0.012 0.6 0.040 0.080 1.54-.05 .02 .01 .43 .36 .18 208.837 522 392 471 452 30.7 2620.209 19.75 2.15 0.053 -0.015 0.7 0.038 0.071 1.30-.05 .02 .01 .47 .33 .19 223.683 504 379 469 445 30.2 2483.004 18.11 2.14 0.038 -0.012 0.6 0.026 0.068 1.54-.01 .02-.01 .42 .32 .17 238.528 503 373 486 448 30.8 2031.409 15.57 2.14 0.045 -0.019 0.6 0.027 0.070 1.32-.03-.02-.02 .42 .33 .19 253.374 505 372 489 461 33.3 2259.912 17.92 2.14 0.039 -0.015 0.5 0.033 0.061 0.97-.13-.02-.07 .48 .32 .19 268.219 491 365 480 446 34.4 2231.283 17.60 2.13 0.041 -0.015 0.6 0.035 0.077 1.28-.12-.05-.03 .52 .37 .19 283.065 510 389 503 475 36.9 2024.394 16.83 2.12 0.069 -0.033 0.7 0.053 0.073 0.88-.14-.10-.01 .52 .37 .20 297.910 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_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 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 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 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 40.000 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 50.000 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 60.000 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 70.000 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 80.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 90.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 100.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 110.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 120.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 130.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 409 299 395 383 36.9 1796.832 15.54 2.10 0.135 -0.128 1.3 0.124 0.100 0.65 .00-.02-.04 .46 .35 .23 160.000 570 415 553 521 35.1 1635.659 13.38 2.11 0.110 -0.095 1.0 0.087 0.102 0.87 .00 .02-.01 .45 .32 .19 170.000 551 396 537 497 34.8 2132.437 16.95 2.12 0.061 -0.047 0.7 0.045 0.080 1.00 .00 .01-.01 .47 .34 .18 180.000 578 398 562 479 36.5 2282.656 17.59 2.13 0.048 -0.006 0.6 0.034 0.064 0.94 .09 .03 .01 .41 .35 .20 190.000 545 375 536 413 40.0 1915.031 15.21 2.14 0.034 0.007 0.5 0.039 0.061 1.11 .05 .02 .01 .49 .38 .19 200.000 585 502 570 517 36.2 2774.083 20.66 2.15 0.044 0.026 0.6 0.044 0.072 1.21 .09 .02 .05 .46 .34 .20 210.000 568 540 543 565 31.7 2660.543 19.24 2.15 0.044 0.029 0.6 0.043 0.082 1.26 .15 .04 .05 .48 .32 .19 220.000 572 545 546 571 26.4 2486.307 17.97 2.15 0.044 0.015 0.5 0.043 0.077 1.25 .17 .02 .04 .42 .33 .19 230.000 560 532 534 558 29.1 2405.665 17.55 2.15 0.041 0.011 0.6 0.038 0.065 1.11 .14 .04 .04 .44 .34 .19 240.000 582 532 533 582 29.0 2281.777 17.05 2.15 0.039 -0.004 0.5 0.035 0.061 0.82 .05-.02 .03 .42 .37 .19 250.000 559 519 520 558 30.6 1938.167 15.08 2.15 0.041 -0.015 0.5 0.033 0.068 0.99 .03-.06 .02 .46 .41 .18 260.000 575 534 536 573 27.8 2357.774 17.52 2.15 0.047 -0.017 0.6 0.034 0.064 1.16 .04-.03 .04 .43 .33 .19 270.000 563 503 511 563 32.0 2370.550 17.97 2.15 0.056 -0.015 0.6 0.037 0.074 1.39-.02-.04 .03 .44 .35 .17 280.000 567 505 512 565 29.5 2535.768 18.57 2.16 0.051 -0.001 0.7 0.034 0.071 1.51-.00-.02 .04 .48 .33 .21 290.000 572 497 541 560 30.9 2559.926 18.67 2.17 0.057 0.016 0.8 0.041 0.075 1.40 .04-.02 .00 .43 .32 .18 300.000 559 472 542 553 31.3 2172.765 15.77 2.17 0.065 0.041 0.7 0.059 0.067 0.95-.03-.04-.02 .45 .32 .21 310.000 567 453 556 548 30.9 2409.278 17.95 2.18 0.046 0.025 0.7 0.038 0.069 1.29-.05-.04-.03 .47 .36 .19 320.000 562 428 559 532 32.4 2676.078 18.62 2.19 0.058 0.049 0.7 0.046 0.073 1.26-.09-.07-.01 .47 .35 .19 330.000 63 50 63 61 34.9 1957.510 14.11 2.19 0.055 0.043 0.6 0.041 0.084 1.10-.21-.04-.01 .49 .28 .19 340.000 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 .00 350.000 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 .00 360.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 650 352 612 599 33.5 2384.250 16.46 2.22 0.078 0.073 0.9 0.061 0.081 1.18 .08 .03 .02 .47 .34 .20 0.050 764 639 744 744 33.2 2514.623 18.07 2.18 0.068 0.059 0.9 0.061 0.067 1.09 .17-.02 .06 .49 .34 .21 0.100 747 731 734 745 30.0 2242.544 17.02 2.15 0.044 0.009 0.5 0.036 0.066 1.17 .10-.10 .10 .46 .38 .20 0.150 778 727 727 778 28.9 2500.179 18.06 2.15 0.037 -0.011 0.5 0.035 0.063 1.07 .08-.05 .10 .43 .35 .20 0.200 755 699 754 700 31.3 2709.253 20.17 2.14 0.038 0.011 0.5 0.048 0.076 1.44 .05 .03 .06 .45 .34 .19 0.250 759 449 751 589 33.1 2109.510 16.24 2.13 0.040 -0.004 0.6 0.040 0.063 0.99 .07 .04 .00 .46 .34 .18 0.300 865 505 785 768 37.8 1717.144 14.81 2.11 0.107 -0.091 1.0 0.092 0.092 0.71-.01-.00-.03 .49 .34 .21 0.350 584 559 584 577 33.4 2220.242 16.84 2.12 0.090 -0.082 1.0 0.066 0.088 0.99 .02 .01-.01 .41 .33 .19 0.400 917 712 821 814 41.1 2421.600 18.84 2.15 0.045 0.024 0.6 0.028 0.072 1.08 .11 .02 .03 .46 .37 .20 0.450 613 611 613 611 27.1 2014.015 14.53 2.15 0.054 0.042 0.6 0.045 0.085 1.17 .26 .06 .01 .46 .34 .19 0.500 750 749 750 750 28.1 2165.623 16.37 2.15 0.042 -0.004 0.5 0.034 0.062 0.88 .02 .02-.05 .42 .35 .17 0.550 768 585 594 767 30.3 2380.864 17.85 2.14 0.056 -0.043 0.7 0.031 0.073 1.45-.11 .02-.03 .43 .33 .17 0.600 909 897 899 909 28.7 2565.225 19.19 2.15 0.036 -0.012 0.5 0.027 0.071 1.50-.19-.07-.06 .44 .33 .18 0.650 248 248 248 248 31.5 2261.537 17.07 2.14 0.037 0.021 0.5 0.035 0.059 1.12-.23-.20-.03 .48 .36 .18 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 marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 5053 2837 3551 4658 32.7 2340.661 17.52 2.16 0.053 0.014 0.7 0.048 0.072 1.13 .08-.01 .05 .47 .35 .20 2.000 5054 2817 2974 4941 31.8 2274.044 17.22 2.14 0.055 -0.014 0.7 0.042 0.072 1.13-.01-.01-.02 .44 .34 .18 3.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 998 487 687 864100.0 -4.851 -0.10 2.13 1.020 -1.884 0.4 0.952 1.708 1.12-.01-.02-.02 .83 .63 .30 0.100 335 241 308 298100.0 16.627 0.30 2.13 0.874 -0.123 0.3 0.893 1.466 1.15 .08-.02-.03 .69 .60 .29 0.200 329 242 297 305100.0 29.881 0.51 2.13 0.560 -0.011 0.3 0.557 0.908 1.00 .01 .01-.02 .67 .54 .29 0.300 312 223 283 287100.0 47.339 0.75 2.12 0.432 0.049 0.3 0.418 0.737 1.21 .04 .04-.01 .61 .48 .28 0.400 295 210 264 271 99.7 65.620 0.98 2.12 0.333 -0.010 0.3 0.284 0.555 1.23 .04-.00 .00 .60 .47 .26 0.500 350 257 309 336 96.9 90.145 1.26 2.13 0.278 -0.010 0.4 0.251 0.467 1.23 .07 .01 .00 .56 .44 .20 0.600 438 296 359 418 82.6 135.720 1.68 2.12 0.212 -0.008 0.4 0.197 0.344 1.28 .01-.02 .01 .51 .40 .21 0.700 590 376 450 566 39.8 224.034 2.42 2.12 0.142 -0.013 0.3 0.120 0.233 1.31 .08-.02 .01 .48 .36 .20 0.800 2027 1223 1413 1946 2.5 1683.958 12.12 2.14 0.060 0.000 0.6 0.057 0.079 1.11 .06-.01 .02 .34 .24 .15 0.900 4433 1646 1875 4308 0.0 4430.213 23.97 2.17 0.050 0.001 1.0 0.041 0.068 1.13 .03-.01 .03 .24 .17 .13 1.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 10056 2958 3793 9548 32.2 2315.298 17.42 2.15 0.054 0.000 0.7 0.045 0.074 1.13 .04-.01 .01 .45 .34 .19 0.050 10 10 10 10 40.0 580.843 5.00 2.11 0.059 -0.013 0.3 0.126 0.100 1.54 .01-.17 .05 .47 .56 .25 0.100 26 25 26 26 15.4 969.671 7.69 2.13 0.065 -0.002 0.5 0.066 0.084 0.93 .25-.03 .03 .82 .64 .25 0.150 8 7 8 8 62.5 305.040 3.09 2.10 0.208 -0.189 0.5 0.146 0.241 1.15-.19-.24 .10 .43 .86 .29 0.200 7 7 7 7 57.1 611.719 5.60 2.12 0.089 -0.037 0.8 0.152 0.077 0.62-.18-.24 .12 .33 .83 .27 0.250 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 0.300 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 0.350 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 0.400 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 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.550 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 0.600 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 marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 555 461 529 527 38.2 2163.017 17.27 2.15 0.055 -0.011 0.6 0.048 0.081 1.27 .04 .01 .01 .49 .35 .22 0.050 475 382 450 450 39.6 1914.703 15.62 2.14 0.054 0.021 0.6 0.044 0.070 1.17 .11 .01 .00 .53 .38 .21 0.100 595 482 562 563 38.2 1383.946 11.34 2.14 0.065 0.000 0.6 0.052 0.087 1.21-.01-.03-.00 .49 .39 .20 0.150 629 519 585 605 29.4 2112.953 15.64 2.15 0.046 -0.005 0.6 0.038 0.066 1.00 .07 .01 .00 .43 .34 .19 0.200 384 316 368 367 26.8 2791.532 19.76 2.15 0.051 -0.005 0.7 0.036 0.067 1.14 .02-.00 .01 .44 .31 .18 0.250 522 449 504 497 28.5 2472.395 17.89 2.15 0.062 -0.003 0.7 0.050 0.073 1.16 .03-.01-.00 .42 .32 .19 0.300 501 435 479 482 24.2 3098.258 21.40 2.17 0.055 -0.003 0.8 0.041 0.074 1.18 .03 .01 .02 .35 .28 .19 0.350 444 367 422 423 24.8 2704.284 18.98 2.15 0.054 0.004 0.7 0.039 0.063 1.06 .05-.01 .02 .42 .34 .18 0.400 382 326 359 367 25.1 3708.355 25.50 2.17 0.046 0.002 0.8 0.036 0.065 1.27 .07 .02 .01 .41 .35 .19 0.450 339 300 333 318 27.4 2711.409 19.24 2.15 0.053 -0.005 0.7 0.049 0.081 1.17 .01-.00-.00 .36 .32 .19 0.500 450 385 432 432 25.3 2799.643 20.15 2.16 0.060 -0.004 0.8 0.053 0.064 0.91 .07 .01 .03 .39 .29 .15 0.550 392 337 372 375 23.5 2352.241 16.76 2.15 0.050 0.007 0.7 0.042 0.063 1.20 .04-.04 .05 .44 .31 .17 0.600 447 387 424 427 25.5 3167.710 21.92 2.16 0.044 -0.010 0.7 0.044 0.066 1.04 .01-.01 .06 .41 .32 .19 0.650 481 408 456 468 22.9 2680.118 18.05 2.16 0.053 0.011 0.7 0.048 0.068 0.99 .02-.02 .04 .38 .28 .17 0.700 406 354 394 386 32.5 1988.822 15.03 2.15 0.058 -0.010 0.6 0.048 0.079 1.21 .01-.02 .02 .53 .41 .22 0.750 487 398 464 455 34.3 2005.289 15.90 2.14 0.062 0.002 0.7 0.055 0.076 1.08 .01-.00 .03 .42 .35 .20 0.800 656 533 619 614 35.2 2531.402 18.89 2.15 0.049 0.006 0.6 0.040 0.070 0.97 .06-.01 .03 .46 .36 .19 0.850 750 600 695 704 37.2 2048.009 16.36 2.15 0.055 0.004 0.6 0.051 0.072 1.06 .04-.03 .01 .51 .36 .20 0.900 657 523 609 612 44.9 1496.187 12.76 2.14 0.056 -0.002 0.6 0.050 0.088 1.23 .03-.01-.00 .51 .38 .20 0.950 555 471 529 527 42.9 1362.229 11.75 2.14 0.065 0.000 0.6 0.049 0.085 1.26 .04-.02-.03 .50 .37 .19 1.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.352 2 2 2 2100.0 26.012 0.85 2.20 0.138 0.138 0.1 0.293 0.464 1.16-.36-.37-.35 .37 .40 .39 300.703 3559 1779 2192 3353 50.5 301.091 3.38 2.14 0.117 -0.026 0.4 0.094 0.164 1.22 .03-.01 .00 .57 .41 .19 601.406 4588 2187 2714 4311 30.9 918.565 7.29 2.13 0.067 0.002 0.5 0.056 0.103 1.21 .06-.01 .01 .43 .35 .21 1202.812 1106 621 659 1090 3.1 3954.238 20.22 2.17 0.048 -0.001 0.9 0.040 0.070 1.26 .01-.00 .04 .22 .18 .13 2405.625 430 272 279 428 0.9 7261.816 32.66 2.21 0.050 0.001 1.6 0.042 0.064 1.10-.03-.01 .04 .22 .16 .16 4811.250 191 116 121 190 0.0 13837.552 50.32 2.28 0.046 -0.007 2.3 0.042 0.062 1.13-.03-.01 .05 .21 .13 .18 9622.500 131 78 81 131 0.0 23453.060 73.36 2.36 0.052 0.002 3.8 0.045 0.065 1.03-.02-.01 .06 .21 .11 .20 19245.000 67 37 39 66 0.0 44233.785 104.55 2.47 0.043 0.000 4.8 0.037 0.050 1.00-.03 .01 .05 .21 .08 .15 38490.000 33 21 27 28 0.0 56345.870 145.66 2.50 0.040 0.017 5.8 0.035 0.038 0.80-.02 .02 .03 .24 .10 .25 76980.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.301 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 0.603 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 0.904 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 1.206 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 1.507 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 1.809 3125 1628 2114 2861 45.7 508.039 4.76 2.09 0.094 -0.020 0.4 0.075 0.131 1.23 .05-.01-.01 .52 .41 .21 2.111 6856 2624 3176 6617 26.6 2530.162 17.96 2.17 0.054 0.000 0.7 0.046 0.075 1.12 .03-.01 .02 .42 .31 .18 2.412 112 55 60 108 4.5 35027.824 99.46 2.50 0.042 0.008 3.9 0.035 0.049 1.03 .01-.02 .03 .20 .13 .14 2.713 14 9 10 13 0.0 33060.592 115.80 2.82 0.025 -0.004 3.8 0.034 0.055 1.03-.07 .01-.06 .19 .07 .33 3.015 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 57 48 56 50 98.2 17.081 0.28 2.12 0.644 -0.203 0.3 1.253 0.939 0.73-1.8-.01 .01 1.9 .93 .31 -1.380 30 24 29 27 93.3 29.018 0.51 2.14 0.510 -0.314 0.4 0.403 0.799 1.84-1.3 .15 .04 1.3 .67 .27 -1.260 36 28 35 33 97.2 21.355 0.39 2.13 0.729 -0.648 0.4 0.477 1.039 1.45-1.2 .10 .02 1.2 .63 .34 -1.140 51 43 51 46 96.1 43.426 0.71 2.13 0.329 -0.154 0.3 0.283 0.649 1.49-1.1-.07-.01 1.1 .54 .24 -1.020 79 61 78 69 92.4 61.855 0.96 2.12 0.286 -0.040 0.3 0.310 0.436 1.32-.95 .02-.01 .95 .57 .22 -0.900 93 72 91 83 88.2 80.274 1.15 2.12 0.233 -0.094 0.4 0.219 0.288 0.96-.83 .02-.03 .83 .53 .22 -0.780 166 132 162 156 74.7 156.228 2.00 2.12 0.174 0.006 0.4 0.109 0.269 1.59-.72-.02-.06 .72 .46 .27 -0.660 233 180 223 216 63.5 547.571 6.77 2.13 0.091 -0.005 0.5 0.070 0.101 0.79-.59-.02-.01 .59 .46 .24 -0.540 394 337 382 370 50.0 1036.001 10.46 2.13 0.061 -0.023 0.5 0.047 0.078 0.86-.47-.05-.05 .47 .38 .21 -0.420 615 542 590 595 28.0 2265.607 17.22 2.14 0.052 -0.016 0.6 0.041 0.064 0.95-.35-.04-.02 .36 .30 .19 -0.300 913 748 810 879 24.4 2748.723 20.12 2.15 0.046 -0.007 0.7 0.036 0.070 1.23-.24-.02-.01 .24 .30 .16 -0.180 1114 875 953 1081 20.6 3710.124 25.71 2.17 0.045 -0.015 0.8 0.037 0.069 1.23-.12-.01 .00 .13 .28 .18 -0.060 1570 1158 1269 1524 17.3 3336.007 21.60 2.16 0.057 -0.020 0.9 0.049 0.072 1.10 .00 .01 .03 .04 .27 .16 0.060 1514 1125 1262 1454 18.5 3236.560 20.56 2.16 0.055 0.018 0.8 0.048 0.069 1.10 .12-.01 .03 .13 .27 .17 0.180 1075 851 972 1026 21.2 2476.466 16.41 2.15 0.054 0.029 0.7 0.051 0.074 1.08 .24-.01 .04 .24 .29 .18 0.300 728 562 664 680 31.3 1518.911 11.66 2.14 0.058 0.033 0.5 0.042 0.080 1.07 .36-.00 .04 .36 .31 .20 0.420 429 341 410 397 36.6 1074.413 9.03 2.13 0.059 0.027 0.5 0.070 0.085 0.99 .47-.02 .03 .48 .37 .21 0.540 317 235 303 290 53.0 576.732 5.22 2.12 0.087 0.024 0.4 0.063 0.137 1.26 .59 .02 .03 .59 .43 .23 0.660 235 176 225 212 57.0 390.326 3.77 2.12 0.098 0.016 0.4 0.086 0.155 1.26 .71-.06 .01 .71 .47 .23 0.780 134 102 134 122 66.4 257.970 2.79 2.12 0.128 -0.024 0.3 0.136 0.250 1.51 .84 .03 .02 .84 .47 .23 0.900 85 69 84 80 76.5 136.606 1.76 2.11 0.190 -0.033 0.4 0.191 0.298 1.21 .96 .12 .02 .96 .48 .23 1.020 79 57 77 69 83.5 124.549 1.59 2.11 0.190 0.022 0.3 0.414 0.289 1.08 1.1 .06 .01 1.1 .49 .21 1.140 51 38 51 47 92.2 101.815 1.47 2.13 0.219 -0.056 0.4 0.095 0.370 1.51 1.2-.00 .02 1.2 .62 .24 1.260 31 21 31 25 93.5 39.345 0.64 2.14 0.373 -0.286 0.3 0.229 0.621 1.57 1.3-.08 .02 1.3 .57 .31 1.380 78 56 75 68 98.7 24.761 0.40 2.12 0.491 -0.181 0.4 0.467 0.747 1.24 1.8 .03 .05 1.8 .72 .28 1.500 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 19 15 18 16100.0 9.354 0.19 2.15 0.419 -0.759 0.4 0.778 0.665 1.35-.03-1.7-.10 1.3 1.8 .37 -1.380 10 7 10 9100.0 9.849 0.19 2.14 0.690 -0.832 0.3 1.956 1.263 1.35-.43-1.3-.16 .79 1.3 .30 -1.260 19 19 19 19 94.7 25.403 0.46 2.12 0.625 -0.025 0.4 0.466 1.093 1.80 .17-1.2-.10 .89 1.2 .21 -1.140 45 40 45 43 97.8 19.380 0.38 2.13 0.563 -0.319 0.4 0.423 0.771 1.02 .01-1.1-.01 .63 1.1 .24 -1.020 50 38 50 43 98.0 57.342 0.98 2.12 0.301 -0.113 0.4 0.228 0.562 1.27-.18-.97-.03 1.1 .97 .28 -0.900 79 63 77 71 89.9 103.212 1.62 2.12 0.230 -0.042 0.3 0.191 0.378 1.35-.11-.84-.02 .61 .84 .25 -0.780 141 114 138 128 87.9 134.373 1.97 2.13 0.157 -0.039 0.4 0.112 0.269 1.51 .04-.72-.00 .67 .72 .25 -0.660 204 162 196 185 73.5 219.160 2.83 2.12 0.122 -0.015 0.4 0.107 0.185 1.26 .18-.59 .01 .67 .59 .25 -0.540 302 250 291 282 58.3 313.575 3.63 2.12 0.101 -0.014 0.4 0.078 0.147 1.28 .07-.47 .00 .54 .48 .25 -0.420 545 450 511 513 45.1 658.257 6.47 2.13 0.070 -0.002 0.4 0.051 0.105 1.27 .03-.35 .02 .49 .36 .21 -0.300 904 725 816 857 31.6 1249.077 10.25 2.14 0.058 0.001 0.5 0.044 0.094 1.40 .02-.23 .03 .42 .24 .19 -0.180 1675 1218 1345 1613 17.9 2751.291 18.39 2.16 0.053 0.010 0.7 0.043 0.076 1.17 .03-.12 .01 .35 .12 .16 -0.060 2435 1503 1706 2350 13.7 4481.728 26.35 2.18 0.052 -0.002 1.0 0.046 0.067 1.09 .03-.00 .01 .33 .04 .16 0.060 1476 1104 1263 1418 18.7 3175.893 20.26 2.16 0.047 -0.007 0.7 0.041 0.068 1.15 .04 .12 .02 .36 .12 .17 0.180 890 694 818 843 31.8 1130.289 9.45 2.13 0.067 0.010 0.5 0.046 0.089 1.13 .05 .23 .02 .43 .24 .19 0.300 502 404 484 472 46.6 610.493 5.91 2.13 0.080 0.023 0.4 0.058 0.110 1.15 .07 .35 .01 .55 .36 .22 0.420 270 213 257 254 65.6 303.497 3.57 2.12 0.101 0.009 0.4 0.072 0.148 1.21 .02 .47 .01 .63 .47 .24 0.540 200 161 196 183 71.0 198.197 2.62 2.12 0.121 0.005 0.3 0.125 0.220 1.18 .06 .59-.00 .58 .59 .24 0.660 137 110 135 119 89.8 72.785 1.17 2.12 0.251 -0.087 0.4 0.206 0.374 1.28 .05 .71 .01 .73 .71 .29 0.780 69 53 67 61 98.6 29.664 0.53 2.13 0.444 -0.135 0.3 0.308 0.713 1.57 .07 .83-.01 .75 .84 .26 0.900 50 38 50 46 88.0 78.480 1.26 2.12 0.205 -0.037 0.3 0.171 0.342 0.96 .12 .96 .00 .73 .96 .23 1.020 26 19 26 21 96.2 41.882 0.63 2.12 0.485 -0.210 0.4 0.297 0.722 1.56-.29 1.1 .02 .67 1.1 .33 1.140 20 16 20 18100.0 18.104 0.35 2.13 0.499 -0.594 0.4 0.497 0.584 0.73 .04 1.2 .05 .79 1.2 .35 1.260 12 10 12 11100.0 0.2388332 0.00 2.12 0.709-34.739 0.3 0.446 0.743 0.90 .11 1.3 .02 .73 1.3 .24 1.380 27 22 26 24 92.6 37.554 0.66 2.13 0.342 -0.163 0.4 0.733 0.543 1.26 .23 1.6 .05 1.3 1.6 .30 1.500 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 2 1 2 2 50.0 8009.756 99.50 2.38 0.088 0.088 7.5 0.094 0.020 0.30 .38-.20-1.2 .47 .30 1.2 -1.140 2 1 2 1100.0 55.051 0.87 2.07 0.421 -0.443 0.6 0.508 0.263 0.37 .33-.48-1.1 .38 .62 1.1 -1.020 6 4 6 4100.0 19.362 0.36 2.10 0.974 -0.547 0.6 0.591 1.376 1.15 .15-.07-.95 .41 .33 .95 -0.900 5 4 5 5 60.0 153.101 2.64 2.13 0.163 0.040 0.4 0.096 0.253 1.44 .11-.17-.82 .29 .25 .82 -0.780 21 16 21 19 90.5 69.003 1.12 2.11 0.261 -0.076 0.3 0.332 0.426 1.51-.34 .04-.71 1.8 1.1 .71 -0.660 49 35 48 41 85.7 219.337 3.25 2.12 0.149 0.000 0.5 0.084 0.170 1.25-.13-.09-.59 .63 .55 .59 -0.540 153 125 151 139 86.3 299.274 4.32 2.14 0.149 -0.023 0.5 0.104 0.169 1.05 .06-.00-.48 .65 .54 .48 -0.420 314 256 292 292 77.4 468.883 6.19 2.12 0.108 -0.010 0.5 0.086 0.121 1.06-.01-.02-.35 .60 .48 .35 -0.300 692 540 631 647 54.5 1068.970 10.71 2.13 0.077 0.020 0.5 0.062 0.093 1.12 .01-.03-.23 .53 .42 .23 -0.180 1715 1280 1411 1658 29.0 1963.495 15.08 2.14 0.067 -0.003 0.7 0.059 0.084 1.11-.04-.01-.11 .42 .34 .12 -0.060 3211 1916 2197 3080 19.2 3090.975 20.06 2.16 0.051 -0.005 0.7 0.042 0.072 1.16 .01-.00 .00 .37 .27 .04 0.060 2433 1656 1939 2303 21.8 2646.101 17.92 2.16 0.048 0.003 0.7 0.040 0.070 1.13 .11-.00 .11 .39 .30 .12 0.180 943 707 857 882 42.9 2243.636 19.01 2.15 0.049 0.011 0.6 0.039 0.060 1.14 .11-.02 .23 .53 .38 .23 0.300 361 284 342 337 66.2 970.009 11.16 2.14 0.061 0.003 0.5 0.052 0.061 0.79 .13 .02 .35 .62 .50 .35 0.420 124 99 122 116 71.8 1118.064 15.64 2.14 0.039 0.014 0.5 0.017 0.052 1.05 .11-.00 .47 .67 .46 .47 0.540 52 44 52 49 71.2 214.586 3.12 2.14 0.155 -0.030 0.5 0.121 0.197 1.08-.06 .12 .59 .63 .53 .59 0.660 11 11 11 11 81.8 127.912 2.67 2.14 0.229 0.019 0.7 0.121 0.248 1.16-.26-.12 .73 .60 .66 .73 0.780 6 6 6 6 66.7 687.853 11.68 2.14 0.129 0.105 1.4 0.115 0.070 0.57-.23 .27 .83 .69 .58 .83 0.900 2 2 2 2100.0 64.435 1.19 2.11 0.110 -0.110 0.2 0.076 0.112 1.14 .15-.19 .97 .24 .19 .97 1.020 2 2 2 2 0.0 947.911 14.46 2.13 0.057 0.057 1.0 0.078 0.068 0.56-.04 .17 1.0 .62 .49 1.0 1.140 1 1 1 1 0.0 4661.900 70.42 2.29 0.096 0.096 6.8 0.100 0.013 0.14-.36 .27 1.2 .36 .27 1.2 1.260 1 1 1 1100.0 -4.415 -0.21 2.14 0.276 -0.276 0.1 0.000 0.551 0.00-.11 .72 1.3 .11 .72 1.3 1.380 1 1 1 1100.0 11.950 0.19 2.08 2.519 2.519 0.5 0.630 5.667 6.36 .28 .12 1.5 .28 .12 1.5 1.500 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 508 0 508 0 55.1 1744.088 14.44 2.12 0.000 0.000 0.0 0.000 0.000 0.00 .10 .01 .01 .59 .45 .23 1.000 2156 755 1078 2156 47.6 1544.892 12.67 2.14 0.050 0.000 0.4 0.000 0.080 0.00 .11 .02 .02 .55 .39 .21 2.000 4161 1383 1387 4161 34.6 1357.693 10.42 2.13 0.059 0.000 0.5 0.052 0.091 1.24 .03-.02 .00 .48 .36 .19 3.000 3272 818 818 3272 15.5 4080.824 28.13 2.19 0.053 0.000 1.0 0.043 0.062 1.07-.01-.01 .02 .31 .27 .17 4.000 10 2 2 10 0.0 10177.730 69.66 2.46 0.063 -0.000 5.6 0.061 0.052 0.65 .04-.01-.05 .13 .08 .40 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 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 10.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 10107 2958 3793 9599 32.2 2307.349 17.37 2.15 0.054 0.000 0.7 0.045 0.074 1.13 .04-.01 .01 .45 .35 .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 marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 1354 380 413 1338 14.0 8935.039 54.01 2.25 0.047 -0.000 1.7 0.042 0.055 0.97-.01-.02 .02 .29 .23 .18 1.652 1367 384 404 1353 17.3 2665.230 20.32 2.17 0.052 -0.000 0.8 0.043 0.071 1.25-.02-.01 .02 .33 .27 .18 1.311 1189 355 383 1168 23.0 2225.924 15.97 2.16 0.052 0.000 0.6 0.042 0.079 1.25 .00-.00 .01 .33 .31 .17 1.145 1057 317 374 1023 23.8 1756.008 12.22 2.15 0.058 0.000 0.6 0.049 0.091 1.39 .02-.01 .02 .35 .30 .17 1.041 1035 302 392 983 31.2 1056.594 8.18 2.13 0.064 0.000 0.4 0.059 0.088 1.11 .01 .00 .02 .44 .35 .18 0.966 869 255 358 807 40.0 591.274 5.18 2.12 0.084 -0.000 0.4 0.070 0.131 1.29 .03-.01 .02 .52 .37 .20 0.909 921 280 391 855 41.9 567.152 4.72 2.11 0.090 0.000 0.4 0.077 0.142 1.27 .07-.00 .01 .53 .40 .21 0.864 819 249 365 749 49.5 475.071 3.98 2.11 0.093 0.000 0.3 0.074 0.156 1.55 .11 .02 .00 .58 .42 .21 0.826 759 222 357 676 54.7 370.182 3.13 2.10 0.107 -0.000 0.3 0.106 0.169 1.08 .11-.00 .02 .58 .40 .22 0.794 737 214 356 647 57.9 375.105 3.05 2.10 0.118 -0.000 0.3 0.125 0.193 1.29 .14-.04-.01 .66 .46 .23 0.767 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3711 1182 1643 3424 87.1 60.981 0.99 2.13 0.302 -0.052 0.4 0.245 0.474 1.23 .03-.01-.00 .64 .50 .26 216.291 1104 484 605 1054 2.3 313.136 3.09 2.12 0.122 -0.002 0.4 0.100 0.213 1.30 .06-.01 .01 .41 .28 .17 432.582 1314 528 631 1261 0.0 627.928 4.90 2.13 0.084 -0.002 0.4 0.069 0.136 1.20 .06-.01 .02 .31 .22 .15 865.164 1392 497 604 1335 0.0 1252.010 7.92 2.14 0.065 -0.002 0.5 0.053 0.102 1.21 .07-.01 .03 .29 .20 .14 1730.328 1076 371 424 1044 0.0 2425.549 13.50 2.16 0.054 0.000 0.8 0.046 0.078 1.16 .03-.01 .03 .25 .16 .12 3460.656 786 263 290 769 0.0 4870.678 21.65 2.19 0.048 -0.002 1.1 0.040 0.069 1.18 .00-.00 .03 .21 .14 .12 6921.312 423 148 158 419 0.0 9599.196 33.47 2.24 0.048 0.002 1.8 0.042 0.067 1.10 .01-.00 .02 .19 .11 .13 13842.625 160 57 60 159 0.0 19143.021 56.57 2.32 0.048 0.000 3.0 0.043 0.067 1.16 .01-.01 .03 .19 .11 .16 27685.250 101 34 36 99 0.0 37209.591 83.40 2.39 0.047 0.004 4.1 0.042 0.058 0.84-.03 .01 .04 .20 .07 .14 55370.500 40 10 16 35 0.0 71518.065 123.63 2.52 0.039 0.001 4.8 0.033 0.043 1.32-.04 .02 .06 .20 .08 .13 110741.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2945 968 1391 2675100.0 36.782 0.62 2.12 0.430 -0.091 0.3 0.386 0.679 1.21 .02-.01-.01 .68 .54 .27 1.680 1052 498 611 1003 29.6 202.133 2.26 2.12 0.157 -0.007 0.4 0.140 0.281 1.24 .07-.01 .03 .47 .35 .18 2.823 1388 582 706 1325 0.0 438.823 3.76 2.13 0.100 0.002 0.4 0.084 0.163 1.28 .06-.01 .02 .35 .26 .15 4.743 1233 509 612 1183 0.0 893.642 5.83 2.13 0.078 -0.003 0.5 0.067 0.117 1.22 .08-.01 .03 .31 .22 .15 7.969 1367 524 597 1326 0.0 1650.923 10.37 2.15 0.056 0.001 0.6 0.048 0.083 1.20 .03-.02 .02 .25 .17 .12 13.390 1012 410 446 988 0.0 3431.977 17.54 2.17 0.049 -0.001 0.9 0.041 0.070 1.23 .01-.01 .03 .21 .14 .11 22.498 634 264 275 630 0.0 6893.432 28.31 2.21 0.049 0.000 1.4 0.041 0.063 1.12-.02-.00 .03 .20 .13 .13 37.800 259 130 136 258 0.0 13251.383 48.29 2.28 0.047 -0.005 2.3 0.044 0.062 1.10-.01-.00 .04 .22 .11 .17 63.511 161 82 86 161 0.0 29152.662 81.49 2.40 0.050 0.001 4.1 0.042 0.058 0.94-.03-.01 .05 .21 .10 .17 106.709 56 29 36 50 0.0 54685.156 132.66 2.50 0.039 0.010 5.4 0.035 0.038 0.84-.01 .01 .05 .22 .08 .22 179.291 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1972 1265 1308 1972 7.3 4385.197 24.52 2.17 0.014 0.001 0.2 0.025 0.056 1.18 .02-.02 .03 .32 .25 .14 0.030 1696 1128 1165 1696 5.8 3662.064 21.30 2.17 0.044 0.004 0.7 0.034 0.067 1.12 .04-.01 .02 .31 .22 .14 0.060 1253 926 970 1253 10.1 3062.124 19.09 2.16 0.073 0.005 1.0 0.046 0.086 1.29 .03-.01 .02 .32 .25 .16 0.090 870 693 746 870 14.5 2382.148 16.84 2.15 0.104 0.021 1.1 0.078 0.102 1.11 .04 .00 .01 .34 .25 .17 0.120 564 468 526 564 23.6 1275.150 10.36 2.14 0.133 -0.015 0.9 0.101 0.124 1.08 .07-.01 .01 .40 .30 .17 0.150 434 355 411 434 31.8 991.802 8.94 2.13 0.161 -0.047 0.9 0.130 0.123 0.79 .07 .01 .00 .41 .31 .18 0.180 287 245 274 287 35.5 656.223 6.30 2.13 0.193 -0.095 0.8 0.154 0.153 0.85 .03 .00-.01 .42 .34 .20 0.210 240 205 235 240 48.8 617.224 6.42 2.13 0.224 -0.150 0.9 0.179 0.180 0.86 .08-.01 .01 .55 .40 .21 0.240 178 152 175 178 51.1 310.945 3.44 2.12 0.251 -0.117 0.7 0.185 0.263 1.10-.01-.02 .01 .43 .36 .19 0.270 162 139 155 162 56.8 220.515 2.71 2.13 0.283 -0.109 0.6 0.218 0.325 1.17 .03-.06 .02 .45 .39 .22 0.300 105 98 104 105 64.8 162.313 2.13 2.13 0.312 -0.080 0.6 0.257 0.322 0.99 .03-.03-.01 .72 .45 .24 0.330 120 109 120 120 74.2 138.418 1.95 2.13 0.345 -0.106 0.6 0.247 0.376 1.11 .05-.01 .00 .63 .46 .23 0.360 105 89 104 105 81.0 109.868 1.53 2.13 0.376 -0.134 0.5 0.270 0.486 1.29 .02 .08 .01 .61 .43 .22 0.390 97 84 96 97 86.6 70.498 1.16 2.14 0.403 -0.114 0.5 0.322 0.527 1.15-.07 .09 .04 .64 .51 .26 0.420 74 70 74 74 90.5 85.359 1.23 2.12 0.436 -0.049 0.5 0.310 0.599 1.56 .01-.08 .03 .68 .51 .28 0.450 71 61 69 71 88.7 80.503 1.23 2.12 0.466 -0.069 0.6 0.338 0.580 0.97-.05-.04-.02 .63 .49 .24 0.480 63 58 63 63 90.5 59.699 1.01 2.13 0.498 -0.153 0.5 0.412 0.606 1.00-.07-.03-.04 .66 .55 .27 0.510 63 55 63 63 95.2 49.527 0.80 2.13 0.525 -0.054 0.5 0.386 0.635 0.98 .09-.10-.03 .67 .48 .24 0.540 61 58 61 61 96.7 48.270 0.77 2.12 0.551 -0.056 0.5 0.413 0.672 1.13-.10 .11-.02 .63 .51 .28 0.570 1184 648 728 1184 99.3 13.133 0.25 2.13 1.110 -0.815 0.5 0.832 1.528 1.20 .04-.02-.01 .72 .56 .29 0.600 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 889 684 768 889 98.4 14.211 0.27 2.13 0.996 -2.103 0.6 0.730 1.233 1.13 .02-.01-.01 .72 .56 .28 -0.460 45 43 45 45 82.2 91.449 1.38 2.12 0.441 -0.486 0.6 0.254 0.673 1.77-.05-.07-.01 .67 .55 .30 -0.420 81 70 80 81 81.5 86.014 1.37 2.14 0.396 -0.431 0.5 0.316 0.539 1.26-.09 .05 .02 .63 .47 .23 -0.380 74 67 74 74 70.3 142.376 2.06 2.14 0.361 -0.373 0.6 0.252 0.413 1.09 .10 .10-.03 .68 .53 .24 -0.340 83 76 82 83 65.1 191.572 2.47 2.13 0.318 -0.323 0.7 0.258 0.298 0.89 .06-.01 .00 .57 .40 .23 -0.300 108 97 108 108 49.1 297.960 3.34 2.12 0.279 -0.280 0.8 0.207 0.322 1.20 .03-.05 .04 .47 .35 .22 -0.260 152 133 151 152 43.4 685.832 6.70 2.12 0.234 -0.235 1.1 0.183 0.185 0.87-.01-.00-.00 .50 .35 .16 -0.220 183 159 180 183 36.1 1055.043 9.64 2.13 0.200 -0.200 1.1 0.162 0.137 0.75 .03-.01-.01 .44 .36 .20 -0.180 313 270 309 313 28.8 1211.779 10.31 2.13 0.158 -0.158 1.0 0.121 0.129 0.89 .03-.01 .00 .41 .30 .17 -0.140 415 377 402 415 16.9 1972.650 14.65 2.14 0.117 -0.117 1.1 0.085 0.101 0.97 .01 .00-.01 .37 .25 .17 -0.100 729 640 678 729 10.4 2893.725 18.69 2.15 0.076 -0.076 0.9 0.039 0.100 1.55-.00-.01 .01 .33 .25 .15 -0.060 1086 882 925 1086 7.0 3687.078 21.86 2.17 0.038 -0.038 0.6 0.030 0.061 1.16 .01-.03 .02 .32 .23 .15 -0.020 1342 958 985 1342 6.4 4468.984 24.82 2.17 0.009 0.001 0.2 0.024 0.052 1.19 .02-.01 .03 .30 .22 .14 0.020 1240 1004 1053 1240 6.5 3916.876 22.12 2.17 0.038 0.038 0.6 0.033 0.059 1.02 .05-.00 .03 .34 .26 .15 0.060 835 736 782 835 11.0 2968.636 18.48 2.17 0.077 0.077 1.0 0.059 0.080 1.16 .07-.00 .03 .32 .24 .17 0.100 528 456 507 528 18.8 1950.192 14.78 2.16 0.113 0.113 1.1 0.091 0.111 1.11 .11-.00 .02 .38 .28 .18 0.140 301 262 297 301 32.2 807.182 7.53 2.14 0.154 0.154 0.8 0.125 0.131 0.95 .09 .01 .00 .39 .35 .18 0.180 178 153 177 178 40.4 311.154 3.26 2.13 0.197 0.197 0.5 0.140 0.242 1.40 .09 .01 .00 .47 .35 .21 0.220 137 123 137 137 53.3 205.111 2.37 2.12 0.238 0.239 0.5 0.192 0.282 1.05 .05-.01 .01 .48 .40 .22 0.260 109 98 108 109 66.1 133.548 1.78 2.13 0.280 0.282 0.5 0.216 0.355 1.33 .01-.05 .00 .43 .41 .21 0.300 68 64 68 68 70.6 117.663 1.61 2.13 0.320 0.322 0.5 0.245 0.395 1.38 .04-.05 .02 .77 .51 .26 0.340 59 50 58 59 83.1 101.352 1.43 2.13 0.356 0.360 0.5 0.237 0.453 1.25-.18-.03-.02 .60 .40 .23 0.380 62 53 62 62 91.9 74.889 1.11 2.12 0.395 0.409 0.4 0.304 0.465 1.16 .11 .11 .06 .64 .46 .24 0.420 46 44 46 46 95.7 76.463 1.09 2.12 0.437 0.437 0.5 0.314 0.574 1.62-.05-.07-.01 .70 .46 .28 0.460 536 416 465 536 98.1 31.980 0.58 2.13 0.717 0.743 0.4 0.554 0.923 1.12 .05-.02-.02 .69 .53 .29 0.500 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_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 8039 2855 3158 8039 36.1 1255.551 10.57 2.14 0.036 0.002 0.4 0.036 0.073 1.20 .04-.01 .01 .47 .36 .20 1.000 1056 693 728 1056 6.7 4507.631 24.59 2.18 0.056 0.003 1.4 0.042 0.073 1.16 .02-.01 .02 .29 .21 .15 2.000 232 186 192 232 0.9 9354.866 39.81 2.23 0.061 -0.003 2.4 0.048 0.067 1.01 .01-.00 .00 .18 .14 .14 3.000 106 92 93 106 0.9 14646.520 53.90 2.28 0.064 -0.010 3.4 0.048 0.074 0.94 .02-.03 .03 .19 .12 .16 4.000 56 48 51 56 0.0 15942.652 58.86 2.28 0.074 -0.018 4.4 0.045 0.083 1.19-.05-.02 .05 .21 .11 .17 5.000 39 36 37 39 0.0 21645.144 72.30 2.33 0.075 -0.029 5.4 0.050 0.087 1.24-.03-.01-.00 .23 .09 .17 6.000 20 20 20 20 0.0 25948.955 85.40 2.37 0.077 0.005 6.6 0.051 0.071 1.07 .02 .02 .11 .20 .13 .37 7.000 14 14 14 14 0.0 25398.850 85.25 2.38 0.089 0.034 7.5 0.074 0.073 0.91 .01 .00 .04 .15 .06 .17 8.000 6 6 6 6 0.0 25091.284 92.72 2.38 0.093 0.070 8.5 0.062 0.080 1.48 .03-.05 .05 .10 .08 .11 9.000 12 11 11 12 0.0 35516.942 94.95 2.41 0.101 0.040 9.6 0.062 0.097 1.35 .05-.03-.01 .24 .07 .14 10.000 5 5 5 5 0.0 39650.399 94.37 2.36 0.110 0.038 10.4 0.095 0.068 0.74-.02 .00-.03 .25 .06 .17 11.000 2 2 2 2 0.0 13787.250 66.88 2.42 0.172 0.029 11.5 0.166 0.025 0.15 .08 .06 .10 .09 .06 .26 12.000 3 2 3 3 0.0 40323.666 91.27 2.38 0.139 -0.111 12.6 0.139 0.060 0.40-.09 .01 .08 .44 .06 .11 13.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.000 4 3 4 4 0.0 36134.725 110.15 2.51 0.132 0.008 14.6 0.177 0.018 0.11 .07 .02-.25 .11 .05 .61 15.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.000 1 1 1 1 0.0 26404.600 73.84 2.29 0.219 -0.219 16.2 0.173 0.183 0.99 .02-.03 .03 .02 .03 .03 17.000 2 2 2 2 0.0 19305.550 119.35 2.42 0.150 -0.088 17.8 0.126 0.044 0.42-.05 .05-.06 .12 .05 .13 18.000 1 1 1 1 0.0 69422.797 163.89 2.55 0.115 -0.115 18.8 0.102 0.026 0.29-.13 .07-.02 .13 .07 .02 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 21.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 22.000 1 1 1 1 0.0 44051.301 145.10 2.40 0.156 0.156 22.6 0.155 0.003 0.02 .17 .03 .05 .17 .03 .05 23.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 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 25.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 10107 2958 3793 9599 32.2 2307.349 17.37 2.15 0.054 0.000 0.7 0.045 0.074 1.13 .04-.01 .01 .45 .35 .19 1.000 Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 781 226 530 500 57.0 3364.765 30.21 2.17 0.036 0.000 0.7 0.032 0.058 0.63 .04 .01 .02 .52 .47 .25 1.000 Coverage Statistics Integration of marc ...1.1(1): component 1 in sample 1 (component 1 in marc_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.652 413 418 98.80 3.28 0.047 380 90.91 0.047 54.01 14.0 to 1.311 817 822 99.39 3.33 0.048 764 92.94 0.052 20.32 17.3 to 1.145 1200 1205 99.59 3.26 0.049 1119 92.86 0.052 15.97 23.0 to 1.041 1574 1579 99.68 3.16 0.050 1436 90.94 0.058 12.22 23.8 to 0.966 1966 1973 99.65 3.05 0.050 1738 88.09 0.064 8.18 31.2 to 0.909 2324 2335 99.53 2.96 0.051 1993 85.35 0.084 5.18 40.0 to 0.864 2715 2733 99.34 2.87 0.052 2273 83.17 0.090 4.72 41.9 to 0.826 3080 3110 99.04 2.80 0.053 2522 81.09 0.093 3.98 49.5 to 0.794 3437 3483 98.68 2.73 0.053 2744 78.78 0.107 3.13 54.7 to 0.767 3793 3866 98.11 2.66 0.054 2958 76.51 0.118 3.05 57.9 Local LS refinement averages ============== 07/10/2013 16:54:01 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: 12 Averaged orientation ('UB') matrix: -0.0222586 0.1131788 0.0044759 -0.0158727 -0.0597472 0.0416308 0.0312808 0.0501980 0.0394576 Weighted average cell constants: A B C Alpha Beta Gamma Vol 24.5517 7.2719 17.7241 90.000 101.432 90.000 3101.66 0.0028 0.0009 0.0020 0.000 0.002 0.000 1.07 Std deviations of the 12 input local LS results: 0.0376 0.0172 0.0392 0.000 0.055 0.000 14.93 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 8.6966 0.7689 4.684 55.055 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 -7.3727 0.0949 0.1363 0.1160 0.5680 0.4805 Unconstrained global unit cell refinement ============== 07/10/2013 16:54:01 Performing final unit cell least squares on file /home/isengard/data/marc/work/marc_01._ma Input file contains 2803 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 (2803 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 0.600 Relative SVD-filter threshold: 0.0000010 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.0000 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 0.7107300, 0.0000093 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 2803 0 2803 8.6404 0.7654 4.714 55.329 Orientation ('UB') matrix: -0.0225022 0.1140557 0.0042282 -0.0166199 -0.0605261 0.0411395 0.0310763 0.0497458 0.0404762 A B C Alpha Beta Gamma Vol 24.3991 7.2269 17.6297 90.071 101.417 89.844 3047.12 0.0021 0.0007 0.0015 0.001 0.001 0.001 0.80 Corrected for goodness of fit: 0.0071 0.0022 0.0051 0.005 0.004 0.005 2.64 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): -12.736 55.734 115.931 Goniometer zeros (deg): 0.0000* 0.1658 0.0000* 0.0088 (*=never refined) Crystal translations (pixels): 0.0781 0.2120 -0.0361 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -8.7807 0.1985 0.1046 0.1014 0.5676 0.3883 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.94716e+06 8.58075e+04 3.31 4 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 2803 2803 2252 Average input ESD (pix, pix, deg): 0.11212 0.10775 0.05549 Goodness of fit: 3.33196 3.11067 3.49867 Highest-magnitude correlations: 1 -0.98031 X-Center1 / B1 2 -0.98001 X-Center1 / A1 3 -0.97754 X-Center1 / C1 4 0.97541 Distance1 / C1 5 0.97085 Distance1 / A1 6 -0.96986 Distance1 / X-Center1 7 0.96857 C1 / A1 8 0.95772 C1 / B1 9 0.95619 Distance1 / B1 10 0.95561 B1 / A1 New orientation is in /home/isengard/data/marc/work/marc_0u.p4p Constrained global unit cell refinement ================= 07/10/2013 16:54:02 Performing final unit cell least squares on file /home/isengard/data/marc/work/marc_01._ma Input file contains 2803 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 (2803 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 0.600 Relative SVD-filter threshold: 0.0000010 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.0000 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 0.7107300, 0.0000093 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 2803 0 2803 8.6537 0.7674 4.707 55.168 Orientation ('UB') matrix: -0.0224187 0.1137167 0.0042160 -0.0166041 -0.0605770 0.0410834 0.0310417 0.0497254 0.0404077 A B C Alpha Beta Gamma Vol 24.4446 7.2407 17.6572 90.000 101.425 90.000 3063.34 0.0021 0.0006 0.0015 0.000 0.001 0.000 0.79 Corrected for goodness of fit: 0.0074 0.0023 0.0054 0.000 0.005 0.000 2.79 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): -12.794 55.724 115.831 Goniometer zeros (deg): 0.0000* 0.1332 0.0000* 0.0139 (*=never refined) Crystal translations (pixels): 0.1024 0.2272 -0.0414 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -8.3328 0.1361 0.1122 0.0993 0.5678 0.4105 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.18412e+05 9.83141e+04 3.54 4 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 2803 2803 2252 Average input ESD (pix, pix, deg): 0.11212 0.10775 0.05549 Goodness of fit: 4.14503 3.16187 3.13493 Highest-magnitude correlations: 1 -0.98016 X-Center1 / B1 2 -0.97947 X-Center1 / A1 3 -0.97800 X-Center1 / C1 4 0.97545 Distance1 / C1 5 0.97210 Distance1 / A1 6 -0.97207 Distance1 / X-Center1 7 0.96799 C1 / A1 8 0.95800 C1 / B1 9 0.95745 Distance1 / B1 10 0.95510 B1 / A1 New orientation is in /home/isengard/data/marc/work/marc_0m.p4p End global unit cell refinement ========================= 07/10/2013 16:54:02