FILEID collect Tue Oct 17 1 4.00 02/07/07 11:09:24 2007jmw0003 SITEID Southampton TITLE /diska/2007jmw0003 CHEM CELL 4.3164 12.7013 16.5159 90.0000 90.0000 90.0000 905.466 CELLSD 0.0001 0.0004 0.0006 0.0000 0.0000 0.0000 0.048 ORT1 -4.0407909e-02 -6.6533457e-02 3.0675172e-02 ORT2 7.6431887e-03 -4.0880851e-02 -5.1747489e-02 ORT3 2.2826966e-01 -1.0408832e-02 7.1627359e-03 SOURCE MO 0.71073 0.70930 0.71359 2.00000 0.00 0.00 LIMITS -45.00 60.00 -210.00 210.00 -360.00 360.00 -100.00 100.00 -360.00 360.00 MORPH Rod DNSMET ? CCOLOR Yellow CSIZE 0.3 x 0.05 x 0.05 ADPAR 313.9457 296.3519 4.3000 512 ADCOR -0.3493 -1.3300 0.0000 0.0651 -0.6200 -0.1868 BRAVAIS Orthorhombic P REF1K 0 0 0 0.000 0.000 0.000 0.000 0.95 0.50 1024.71 19.65 0.415696 0.498866 0.896652 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 217.82 80.05 780.50 21.27 0.035962 0.196980 0.703214 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 273.10 72.63 1353.79 23.56 -0.126547 0.163683 0.680616 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 391.91 51.19 377.16 11.20 -0.478585 0.158316 0.613256 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 478.79 23.39 174.91 8.15 -0.709351 0.213358 0.570986 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 169.51 167.47 4416.29 40.95 0.274640 0.173284 0.518480 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 411.87 136.86 2933.30 35.20 -0.471436 0.067074 0.382625 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 380.49 142.78 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0.000 0.000 0.000 142.24 168.89 1024.31 19.15 0.345044 0.207893 0.529724 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 126.10 248.26 505.68 14.08 0.479645 0.201927 0.319752 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 113.59 169.68 192.20 9.18 0.413186 0.246885 0.541220 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 380.99 218.13 7307.58 63.01 -0.302385 0.001596 0.180244 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 442.18 208.28 3916.84 41.25 -0.496617 0.025839 0.144641 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 410.95 213.10 826.00 19.67 -0.399782 0.010299 0.163481 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 522.88 195.24 927.49 19.17 -0.720488 0.090626 0.099309 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 537.56 192.44 978.00 21.46 -0.756814 0.105312 0.092683 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 486.73 199.44 143.91 6.08 -0.626789 0.058876 0.123952 0.000 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0.000 0.000 0.000 303.79 367.23 43025 142 0.107370 0.036657 -0.216412 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 382.06 357.35 53008 158 -0.152361 0.011755 -0.263818 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 442.85 352.16 5017.07 52.33 -0.347057 0.026684 -0.300523 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 474.99 350.02 756.42 18.48 -0.443581 0.044821 -0.318391 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 508.88 348.37 387.00 14.90 -0.538834 0.070169 -0.336363 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 560.11 347.42 797.87 16.72 -0.668036 0.117624 -0.362717 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 63.30 419.22 856.71 19.13 0.738003 0.347996 -0.110498 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 26.32 428.30 145.13 7.38 0.799399 0.405023 -0.097476 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 139.22 487.65 428.55 12.95 0.618198 0.307119 -0.367312 0.000 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0.000 401.60 195.96 1335.31 24.85 0.017418 0.388308 0.225549 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 429.62 184.63 1256.00 24.29 0.034130 0.481847 0.228342 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 515.34 235.81 574.75 15.88 0.067486 0.669157 -0.009915 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 609.48 199.96 2478.57 28.81 0.174174 0.900350 0.007383 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 568.04 214.12 349.75 10.59 0.125597 0.808432 0.004814 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 588.29 212.60 166.13 7.88 0.147154 0.851242 -0.008341 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 36.27 265.79 127.75 4.11 0.338455 -0.675573 0.324180 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 240.42 313.93 17886 95.02 0.058652 -0.248112 0.019387 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 235.25 250.69 148.51 6.00 0.060433 -0.193423 0.225574 0.000 0.000 0.000 0.000 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