From b86d06bf780cdbfdd47b5497c31de26d243dce5a Mon Sep 17 00:00:00 2001 From: Samuel Jackson Date: Mon, 9 Jun 2014 15:10:08 +0100 Subject: [PATCH] Refs #9584 Update SaveHKL with working example. --- .../docs/source/algorithms/SaveHKL-v1.rst | 39 +- .../UsageData/Peaks5637.integrate | 474 ++++++++++++++++++ 2 files changed, 512 insertions(+), 1 deletion(-) create mode 100644 Test/AutoTestData/UsageData/Peaks5637.integrate diff --git a/Code/Mantid/docs/source/algorithms/SaveHKL-v1.rst b/Code/Mantid/docs/source/algorithms/SaveHKL-v1.rst index 65abe572f070..4f107d395759 100644 --- a/Code/Mantid/docs/source/algorithms/SaveHKL-v1.rst +++ b/Code/Mantid/docs/source/algorithms/SaveHKL-v1.rst @@ -50,7 +50,7 @@ Usage import os #load a peaks workspace from file - peaks = LoadIsawPeaks(Filename=r'TOPAZ_1204.peaks') + peaks = LoadIsawPeaks(Filename=r'Peaks5637.integrate') SaveHKL(peaks, "MyPeaks.hkl") path = os.path.join(config['defaultsave.directory'], "MyPeaks.hkl") @@ -75,5 +75,42 @@ Output: removeFiles(["MyPeaks.hkl"]) +**Example - an example of running SaveHKL with sorting and filtering options.** + +.. testcode:: ExSaveHKLOptions + + import os + + #load a peaks workspace from file + peaks = LoadIsawPeaks(Filename=r'Peaks5637.integrate') + print "Number of peaks in table %d" % peaks.rowCount() + + SaveHKL(peaks, "MyPeaks.hkl", MinWavelength=0.5, MaxWavelength=2,MinDSpacing=0.2, SortBy='Bank') + + path = os.path.join(config['defaultsave.directory'], "MyPeaks.hkl") + peaks = LoadHKL(path) + print "Number of peaks in table %d" % peaks.rowCount() + +Output: + +.. testoutput:: ExSaveHKLOptions + + Number of peaks in table 434 + Number of peaks in table 234 + +.. testcleanup:: ExSaveHKLOptions + + import os + def removeFiles(files): + for ws in files: + try: + path = os.path.join(config['defaultsave.directory'], ws) + os.remove(path) + except: + pass + + removeFiles(["MyPeaks.hkl"]) + + .. categories:: diff --git a/Test/AutoTestData/UsageData/Peaks5637.integrate b/Test/AutoTestData/UsageData/Peaks5637.integrate new file mode 100644 index 000000000000..756b3107971e --- /dev/null +++ b/Test/AutoTestData/UsageData/Peaks5637.integrate @@ -0,0 +1,474 @@ +Version: 2.0 Facility: SNS Instrument: TOPAZ Date: 2012-05-25T00:00:02 +6 L1 T0_SHIFT +7 1800.0000 0.000 +4 DETNUM NROWS NCOLS WIDTH HEIGHT DEPTH DETD CenterX CenterY CenterZ BaseX BaseY BaseZ UpX UpY UpZ +5 17 256 256 15.8208 15.8208 0.2000 45.50 -36.6976 -24.1113 -11.9240 -0.13786 0.59966 -0.78829 -0.57488 0.59966 0.55670 +5 18 256 256 15.8208 15.8208 0.2000 45.50 -36.6977 -24.1113 11.9237 -0.57488 0.59966 -0.55671 -0.13786 0.59966 0.78829 +5 22 256 256 15.8208 15.8208 0.2000 42.50 40.8536 -11.7146 -0.0001 0.19491 0.67972 0.70710 0.19490 0.67971 -0.70711 +5 26 256 256 15.8208 15.8208 0.2000 42.50 -33.0514 -11.7146 -24.0130 0.25794 0.67971 -0.68663 -0.57331 0.67971 0.45750 +5 27 256 256 15.8208 15.8208 0.2000 42.50 -40.8536 -11.7146 -0.0001 -0.19491 0.67972 -0.70710 -0.19491 0.67971 0.70711 +5 36 256 256 15.8208 15.8208 0.2000 39.50 -23.2176 0.0000 -31.9561 0.57206 0.70711 -0.41563 -0.57206 0.70711 0.41563 +5 37 256 256 15.8208 15.8208 0.2000 39.50 -37.5667 0.0000 -12.2063 0.21851 0.70711 -0.67250 -0.21851 0.70711 0.67250 +5 38 256 256 15.8208 15.8208 0.2000 39.50 -37.5668 0.0000 12.2061 -0.21851 0.70711 -0.67250 0.21851 0.70711 0.67250 +5 47 256 256 15.8208 15.8208 0.2000 42.50 -40.8536 11.7146 -0.0001 0.19491 0.67972 -0.70710 0.19490 0.67971 0.70711 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 17 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 1 -1 -4 9 169.00 121.00 5755 45.574 1.88695 -2.58688 1.233641 0.7619 127394 34548.22 193.18 310 +3 2 -1 -3 8 99.00 67.00 6957 45.687 1.85059 -2.46747 1.491253 0.9334 53105 27804.02 177.13 310 +3 3 -2 -5 15 49.00 34.00 3862 46.121 1.81869 -2.39133 0.827549 0.5244 36844 4259.86 106.42 310 +3 4 -1 -5 13 193.00 7.00 4664 46.283 2.00001 -2.47112 0.999335 0.5938 36716 9287.62 282.03 310 +3 5 -2 -6 16 100.00 68.00 3479 45.680 1.85097 -2.46941 0.745746 0.4667 33372 3619.40 76.17 310 +3 6 -2 -6 13 107.00 181.00 3577 45.638 1.77120 -2.60435 0.766671 0.4951 25085 3711.43 68.56 310 +3 7 -2 -9 16 193.00 234.00 2674 46.151 1.82153 -2.73364 0.572991 0.3627 19835 929.82 39.27 310 +3 8 -2 -9 19 192.00 142.00 2643 45.683 1.89534 -2.63036 0.566509 0.3488 17836 802.80 46.95 310 +3 9 -3 -7 22 29.00 22.00 2669 46.366 1.80489 -2.36308 0.571884 0.3643 16658 968.17 49.65 310 +3 10 -2 -5 12 61.00 160.00 4003 45.729 1.73702 -2.54410 0.858076 0.5620 15536 1909.49 60.43 310 +3 11 -3 -10 28 116.00 20.00 2118 45.988 1.90448 -2.42556 0.453924 0.2786 15068 353.79 32.15 310 +3 12 -2 -7 14 143.00 205.00 3220 45.761 1.79138 -2.66045 0.690152 0.4420 12086 965.17 40.01 310 +3 13 -3 -10 22 132.00 159.00 2211 45.542 1.81609 -2.59993 0.473941 0.3006 11865 371.45 21.44 310 +3 14 -3 -7 16 42.00 198.00 2802 46.013 1.68697 -2.57147 0.600451 0.4019 10574 626.11 39.58 310 +3 15 -2 -12 25 241.00 121.00 2084 46.039 1.96487 -2.64787 0.446568 0.2684 9315 131.72 13.73 310 +3 16 -4 -9 20 31.00 223.00 2148 46.267 1.65600 -2.59025 0.460350 0.3125 9055 324.24 23.81 310 +3 17 -2 -7 17 135.00 96.00 3148 45.544 1.86882 -2.52991 0.674815 0.4195 6683 586.10 27.19 310 +3 18 -3 -13 28 185.00 135.00 1810 45.641 1.89334 -2.61642 0.388049 0.2391 6220 43.56 10.97 310 +3 19 -2 -11 24 222.00 100.00 2226 45.905 1.96130 -2.60697 0.477123 0.2871 5703 110.57 14.06 310 +3 20 -1 -6 11 243.00 192.00 4214 46.229 1.90885 -2.73018 0.903057 0.5534 5252 979.95 37.20 310 +3 21 -2 -12 22 242.00 191.00 2111 46.214 1.90863 -2.72822 0.452291 0.2772 5111 74.67 19.06 310 +3 22 -3 -11 20 154.00 246.00 2086 46.115 1.77028 -2.71414 0.447108 0.2888 4815 57.31 10.94 310 +3 23 -4 -11 25 87.00 173.00 1891 45.655 1.75552 -2.57930 0.405258 0.2634 4698 74.37 13.92 310 +3 24 -4 -10 30 47.00 32.00 1928 46.150 1.81789 -2.38757 0.413207 0.2619 4572 57.31 8.42 310 +3 25 -3 -9 18 105.00 226.00 2395 45.926 1.73349 -2.65244 0.513371 0.3368 4479 139.02 13.53 310 +3 26 -1 -5 10 214.00 162.00 4877 45.863 1.90286 -2.67182 1.045185 0.6418 4283 699.90 37.18 310 +3 27 -2 -9 22 183.00 58.00 2579 45.831 1.95125 -2.52434 0.552840 0.3338 3931 240.86 18.80 310 +3 28 -3 -8 17 78.00 213.00 2586 45.908 1.71442 -2.61648 0.554322 0.3666 3889 146.59 16.63 310 +3 29 -2 -8 15 172.00 222.00 2924 45.956 1.80894 -2.70312 0.626563 0.3985 3863 198.31 19.11 310 +3 30 -2 -10 20 211.00 160.00 2435 45.836 1.90128 -2.66700 0.521960 0.3207 3822 60.60 14.86 310 +3 31 -2 -10 26 192.00 7.00 2330 46.277 1.99890 -2.47031 0.499151 0.2967 3662 65.93 16.33 310 +3 32 -3 -8 23 67.00 46.00 2481 45.930 1.83018 -2.41856 0.531797 0.3355 3367 96.36 14.39 310 +3 33 -2 -8 21 155.00 31.00 2793 45.921 1.94028 -2.46930 0.598615 0.3628 2271 131.05 15.48 310 +3 34 -1 -6 14 232.00 55.00 4093 46.174 2.00701 -2.56186 0.876967 0.5199 2189 202.80 23.50 310 +3 35 -3 -8 20 74.00 123.00 2545 45.621 1.77995 -2.51245 0.545614 0.3511 2188 44.61 9.28 310 +3 36 -1 -7 15 251.00 89.00 3616 46.197 2.00096 -2.61890 0.774869 0.4603 1683 0.00 0.00 310 +3 37 -4 -11 31 74.00 49.00 1828 45.877 1.83586 -2.42732 0.391799 0.2466 1434 48.14 8.60 310 +3 38 -3 -12 24 173.00 186.00 1945 45.730 1.83922 -2.66424 0.416982 0.2621 1400 31.07 8.77 310 +3 39 -5 -11 24 25.00 237.00 1744 46.435 1.63897 -2.60075 0.373734 0.2557 1099 16.71 6.01 310 +3 40 -2 -13 26 247.00 135.00 1952 46.098 1.95990 -2.66927 0.418347 0.2519 904 0.00 0.00 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 18 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 41 -2 -2 6 75.00 75.00 5958 45.731 1.32399 -2.45815 1.276946 1.0387 196360 94878.10 314.62 310 +3 42 -1 -1 3 77.00 73.00 11954 45.731 1.32774 -2.45892 2.562076 2.0790 192934 654638.55 858.47 310 +3 43 -3 -4 10 165.00 40.00 3663 45.879 1.43148 -2.53330 0.784970 0.5981 102179 20048.39 153.67 310 +3 44 -2 -3 4 223.00 246.00 4954 46.462 1.25543 -2.76654 1.061468 0.9037 87954 45109.10 482.61 310 +3 45 -3 -3 6 97.00 241.00 3793 46.076 1.15758 -2.61973 0.812752 0.7429 44371 9235.72 105.08 310 +3 46 -4 -3 8 13.00 248.00 3006 46.645 1.08611 -2.52433 0.643990 0.6231 41581 5719.55 244.21 310 +3 47 -2 -3 7 199.00 29.00 5251 46.118 1.46946 -2.56243 1.125192 0.8392 31902 10893.21 109.30 310 +3 48 -4 -5 13 145.00 49.00 2807 45.771 1.40625 -2.51787 0.601611 0.4652 28358 2149.55 59.22 310 +3 49 -4 -4 9 96.00 197.00 2899 45.744 1.20427 -2.58108 0.621409 0.5486 26938 3183.60 79.09 310 +3 50 -4 -6 8 221.00 247.00 2477 46.456 1.25272 -2.76524 0.530604 0.4526 22300 2268.05 92.13 310 +3 51 -5 -4 11 26.00 209.00 2415 46.206 1.13783 -2.50738 0.517394 0.4802 19938 1400.76 45.55 310 +3 52 -5 -4 14 10.00 107.00 2477 46.093 1.24008 -2.40687 0.530735 0.4567 18694 1624.97 90.08 310 +3 53 -5 -6 16 132.00 52.00 2273 45.739 1.39297 -2.50552 0.487248 0.3798 17197 761.56 38.71 310 +3 54 -6 -5 14 36.00 184.00 2017 45.983 1.17274 -2.49881 0.432335 0.3907 15019 681.80 38.77 310 +3 55 -3 -5 11 232.00 19.00 3344 46.443 1.50523 -2.59066 0.716522 0.5241 13284 1510.57 96.21 310 +3 56 -7 -6 20 33.00 97.00 1757 45.912 1.26803 -2.42623 0.376564 0.3178 13078 371.94 45.41 310 +3 57 -5 -6 13 147.00 141.00 2240 45.524 1.30608 -2.59366 0.480170 0.3951 12635 605.33 31.75 310 +3 58 -7 -7 18 88.00 142.00 1684 45.574 1.25881 -2.52623 0.360948 0.3066 10940 42.94 7.59 310 +3 59 -6 -5 17 22.00 101.00 2050 45.994 1.25551 -2.41640 0.439412 0.3741 8911 387.58 21.65 310 +3 60 -5 -7 14 193.00 119.00 2130 45.683 1.36677 -2.62748 0.456593 0.3616 8843 517.61 27.71 310 +3 61 -5 -7 17 177.00 36.00 2158 45.952 1.44505 -2.54355 0.462502 0.3497 7166 213.11 18.42 310 +3 62 -5 -5 15 76.00 75.00 2388 45.726 1.32474 -2.45930 0.511777 0.4161 7088 184.20 21.31 310 +3 63 -5 -7 11 200.00 210.00 2070 46.003 1.27413 -2.71091 0.443517 0.3728 6855 258.26 21.95 310 +3 64 -6 -6 18 75.00 74.00 1986 45.735 1.32511 -2.45738 0.425650 0.3460 6172 89.75 11.16 310 +3 65 -4 -7 15 246.00 15.00 2455 46.607 1.52001 -2.60266 0.525962 0.3817 5976 279.02 29.71 310 +3 66 -6 -7 16 133.00 130.00 1883 45.502 1.30719 -2.56864 0.403556 0.3318 5971 54.78 8.60 310 +3 67 -6 -8 14 182.00 187.00 1767 45.772 1.28402 -2.67150 0.378756 0.3163 5596 76.46 14.25 310 +3 68 -6 -8 17 177.00 112.00 1813 45.613 1.36176 -2.60393 0.388542 0.3086 5583 71.17 8.96 310 +3 69 -5 -5 12 92.00 171.00 2341 45.632 1.22972 -2.55468 0.501765 0.4349 3937 195.44 17.64 310 +3 70 -5 -8 12 240.00 189.00 1976 46.185 1.32921 -2.73674 0.423464 0.3433 3802 43.91 7.53 310 +3 71 -6 -6 12 96.00 241.00 1897 46.079 1.15678 -2.61855 0.406415 0.3717 3519 0.00 0.00 310 +3 72 -3 -5 8 248.00 152.00 3265 46.130 1.37507 -2.71464 0.699546 0.5511 2882 259.32 34.48 310 +3 73 -4 -5 10 160.00 159.00 2742 45.586 1.29668 -2.62331 0.587857 0.4867 2290 181.54 15.12 310 +3 74 -8 -7 26 21.00 36.00 1530 46.320 1.32813 -2.36697 0.327839 0.2660 2201 33.15 6.94 310 +3 75 -4 -4 12 77.00 76.00 2983 45.718 1.32437 -2.46122 0.639341 0.5199 2181 226.95 18.84 310 +3 76 -4 -6 14 200.00 29.00 2625 46.124 1.47023 -2.56353 0.562464 0.4193 1925 84.50 9.88 310 +3 77 -3 -4 7 183.00 190.00 3540 45.792 1.28160 -2.67515 0.758670 0.6345 1734 347.85 25.24 310 +3 78 -7 -8 16 134.00 190.00 1597 45.665 1.24202 -2.61948 0.342199 0.2941 1651 38.44 8.28 310 +3 79 -7 -10 18 200.00 155.00 1491 45.752 1.33319 -2.66484 0.319483 0.2584 1475 29.80 6.95 310 +3 80 -8 -8 24 76.00 75.00 1488 45.726 1.32474 -2.45930 0.318972 0.2593 1468 0.00 0.00 310 +3 81 -8 -6 19 5.00 179.00 1541 46.235 1.15566 -2.45735 0.330192 0.3023 1344 0.00 0.00 310 +3 82 -7 -8 19 130.00 124.00 1631 45.501 1.31148 -2.56033 0.349617 0.2867 1332 42.66 7.90 310 +3 83 -7 -9 20 162.00 105.00 1574 45.571 1.35763 -2.58139 0.337392 0.2687 1220 30.55 6.60 310 +3 84 -6 -9 21 200.00 28.00 1753 46.132 1.47131 -2.56275 0.375570 0.2798 1212 27.86 5.32 310 +3 85 -7 -11 16 235.00 206.00 1413 46.238 1.30715 -2.74561 0.302824 0.2490 1177 11.93 4.48 310 +3 86 -3 -3 9 79.00 75.00 3985 45.714 1.32700 -2.46276 0.854226 0.6935 1144 179.22 19.10 310 +3 87 -6 -10 22 234.00 20.00 1674 46.451 1.50568 -2.59361 0.358641 0.2623 1134 42.85 7.39 310 +3 88 -7 -6 14 49.00 243.00 1680 46.311 1.11822 -2.56401 0.359867 0.3392 898 24.30 8.81 310 +3 89 -6 -9 15 218.00 166.00 1702 45.904 1.33586 -2.69377 0.364798 0.2945 869 14.26 3.99 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 22 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 90 2 -1 9 32.00 217.00 8859 43.263 1.75877 -0.28542 1.901292 1.2340 221363 238972.71 499.45 310 +3 91 4 -1 20 144.00 52.00 3534 42.768 1.47666 -0.33984 0.758745 0.5637 32227 5401.94 96.12 310 +3 92 5 -1 21 240.00 56.00 3026 43.291 1.38398 -0.23712 0.649365 0.5089 32108 3575.14 74.48 310 +3 93 5 -2 16 228.00 251.00 4094 43.624 1.59384 -0.05288 0.878446 0.6141 28685 6718.71 362.13 310 +3 94 3 -1 16 75.00 78.00 4742 42.733 1.57387 -0.38375 1.017935 0.7187 22806 5983.06 82.35 310 +3 95 5 -1 24 186.00 35.00 2806 43.035 1.41686 -0.31420 0.602256 0.4628 22380 2534.55 58.05 310 +3 96 7 -3 28 118.00 211.00 2635 42.816 1.66586 -0.20331 0.565585 0.3822 18921 1200.46 55.74 310 +3 97 3 -1 13 146.00 131.00 5483 42.516 1.55538 -0.25664 1.177158 0.8389 18685 7207.40 97.28 310 +3 98 10 -3 40 199.00 130.00 1687 42.729 1.50017 -0.20331 0.362090 0.2656 11578 92.77 10.76 310 +3 99 5 -1 27 144.00 11.00 2597 43.118 1.43559 -0.38171 0.557393 0.4237 11043 1214.29 67.74 310 +3 100 10 -4 38 157.00 208.00 1870 42.829 1.62286 -0.16663 0.401513 0.2768 10838 95.43 17.77 310 +3 101 5 -2 19 155.00 206.00 3738 42.810 1.62288 -0.17069 0.802547 0.5533 9644 1642.40 45.23 310 +3 102 3 -1 10 251.00 187.00 6354 43.336 1.50622 -0.09326 1.363585 0.9969 9270 4244.98 291.16 310 +3 103 8 -2 34 204.00 85.00 1956 42.843 1.44912 -0.24431 0.419829 0.3167 9083 239.12 20.07 310 +3 104 4 -2 18 30.00 217.00 4421 43.280 1.76075 -0.28748 0.948815 0.6153 8639 1744.64 45.25 310 +3 105 3 -1 19 26.00 30.00 4128 43.381 1.57483 -0.48108 0.885846 0.6251 8377 2122.87 50.36 310 +3 106 7 -2 27 221.00 126.00 2426 42.891 1.47386 -0.18494 0.520682 0.3874 7894 427.95 23.42 310 +3 107 8 -3 26 239.00 229.00 2491 43.510 1.56076 -0.06365 0.534564 0.3799 7140 385.22 21.77 310 +3 108 5 -2 22 98.00 166.00 3405 42.606 1.64060 -0.27000 0.731011 0.4998 6818 936.60 34.00 310 +3 109 9 -4 34 130.00 238.00 2141 43.045 1.68066 -0.16358 0.459459 0.3084 6668 165.61 14.28 310 +3 110 8 -2 31 243.00 102.00 2058 43.124 1.42743 -0.18698 0.441746 0.3374 6031 196.53 20.67 310 +3 111 6 -2 23 193.00 157.00 2949 42.731 1.53398 -0.18188 0.633046 0.4561 5782 703.03 30.06 310 +3 112 5 -2 25 59.00 129.00 3101 42.710 1.64248 -0.34804 0.665682 0.4547 5556 555.09 35.29 310 +3 113 6 -2 29 107.00 103.00 2548 42.546 1.56669 -0.32549 0.547065 0.3876 5357 229.53 17.12 310 +3 114 8 -3 32 152.00 177.00 2225 42.637 1.59642 -0.20331 0.477664 0.3335 5277 80.84 13.52 310 +3 115 6 -3 30 9.00 181.00 2714 43.253 1.74546 -0.34599 0.582381 0.3801 4916 275.60 30.67 310 +3 116 8 -4 39 7.00 187.00 2078 43.304 1.75346 -0.34189 0.446059 0.2902 4793 82.09 19.45 310 +3 117 9 -3 30 253.00 191.00 2119 43.380 1.50830 -0.08731 0.454856 0.3322 4691 125.48 38.92 310 +3 118 10 -4 32 229.00 248.00 2046 43.601 1.58984 -0.05483 0.439020 0.3075 4407 47.50 17.22 310 +3 119 7 -2 33 142.00 86.00 2158 42.587 1.51330 -0.30701 0.463264 0.3374 4383 198.52 17.14 310 +3 120 7 -2 36 113.00 67.00 2031 42.674 1.52368 -0.35622 0.435949 0.3158 4238 115.79 15.56 310 +3 121 8 -4 33 59.00 249.00 2357 43.365 1.76345 -0.22481 0.505881 0.3277 3899 263.60 35.37 310 +3 122 7 -2 39 86.00 43.00 1911 42.896 1.52698 -0.40809 0.410255 0.2967 3613 70.91 10.68 310 +3 123 4 -1 17 203.00 86.00 3919 42.832 1.45115 -0.24431 0.841373 0.6340 3483 733.27 40.61 310 +3 124 7 -3 40 7.00 99.00 2017 43.183 1.66403 -0.43128 0.432833 0.2927 3337 89.35 20.00 310 +3 125 9 -4 37 96.00 214.00 2030 42.879 1.69135 -0.22276 0.435879 0.2912 3323 87.00 15.30 310 +3 126 6 -2 35 48.00 54.00 2204 43.023 1.57689 -0.43529 0.473100 0.3335 3226 77.70 11.46 310 +3 127 6 -1 31 178.00 6.00 2176 43.271 1.39621 -0.35213 0.466941 0.3632 2791 167.95 28.39 310 +3 128 8 -4 36 31.00 215.00 2209 43.256 1.75777 -0.28851 0.474101 0.3078 2512 57.54 10.38 310 +3 129 6 -2 26 146.00 130.00 2738 42.516 1.55435 -0.25766 0.587906 0.4192 2204 198.03 21.55 310 +3 130 6 -2 20 251.00 186.00 3172 43.331 1.50520 -0.09426 0.680718 0.4979 2098 271.15 54.68 310 +3 131 4 -1 23 97.00 24.00 3211 43.020 1.49658 -0.41617 0.689274 0.5065 1975 254.26 19.20 310 +3 132 5 -2 31 4.00 62.00 2592 43.369 1.62927 -0.47119 0.556309 0.3824 1775 0.00 0.00 310 +3 133 8 -3 29 192.00 202.00 2355 42.934 1.58098 -0.13729 0.505426 0.3556 1657 95.13 17.44 310 +3 134 7 -3 25 162.00 245.00 2821 43.169 1.65492 -0.12422 0.605491 0.4112 1295 0.00 0.00 310 +3 135 9 -4 43 43.00 166.00 1826 42.886 1.69646 -0.32652 0.391994 0.2613 1276 36.98 7.84 310 +3 136 10 -5 42 52.00 243.00 1859 43.347 1.76456 -0.23815 0.399000 0.2584 1259 14.23 5.08 310 +3 137 8 -2 37 168.00 67.00 1863 42.737 1.46734 -0.29981 0.399941 0.2986 1173 68.34 14.35 310 +3 138 9 -3 48 72.00 77.00 1579 42.752 1.57591 -0.38782 0.338958 0.2391 1019 29.31 6.23 310 +3 139 8 -3 44 42.00 91.00 1778 42.887 1.62075 -0.40404 0.381653 0.2634 993 15.00 3.88 310 +3 140 6 -2 41 8.00 10.00 1934 43.744 1.57280 -0.51828 0.415050 0.2932 903 0.00 0.00 310 +3 141 7 -2 42 64.00 26.00 1809 43.139 1.53229 -0.44731 0.388375 0.2801 848 14.21 4.67 310 +3 142 8 -3 35 116.00 151.00 2097 42.531 1.60677 -0.26692 0.450278 0.3128 843 29.69 9.11 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 26 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 143 0 -3 6 106.00 75.00 9582 42.644 2.18525 -2.70218 2.057136 1.1585 122569 154008.80 405.71 310 +3 144 0 -7 10 99.00 251.00 4247 43.216 2.03406 -2.94045 0.911595 0.5359 75291 17618.80 1169.29 310 +3 145 0 -6 12 104.00 75.00 4786 42.648 2.18275 -2.70039 1.027452 0.5790 69374 15124.92 127.79 310 +3 146 1 -9 13 225.00 211.00 3615 43.234 2.20994 -3.02283 0.775791 0.4342 43658 3904.54 68.06 310 +3 147 1 -9 16 224.00 97.00 3531 42.958 2.31093 -2.85580 0.758030 0.4142 32320 2745.58 86.59 310 +3 148 0 -8 14 106.00 148.00 3663 42.540 2.12871 -2.80977 0.786449 0.4497 30610 3465.41 93.59 310 +3 149 0 -10 22 102.00 19.00 2818 43.055 2.21912 -2.61179 0.604778 0.3377 24398 1280.16 59.20 310 +3 150 0 -10 16 105.00 197.00 2956 42.739 2.08695 -2.87646 0.634585 0.3672 17749 1039.35 55.61 310 +3 151 1 -8 15 236.00 61.00 3968 43.222 2.35407 -2.81070 0.851741 0.4612 17009 2421.80 55.28 310 +3 152 0 -9 18 104.00 74.00 3193 42.653 2.18348 -2.69887 0.685453 0.3862 15284 1244.39 52.11 310 +3 153 1 -10 20 207.00 32.00 3085 43.188 2.34150 -2.73032 0.662095 0.3594 14657 905.66 41.97 310 +3 154 0 -13 28 103.00 32.00 2178 42.935 2.21176 -2.63306 0.467543 0.2615 14325 345.69 33.87 310 +3 155 1 -12 19 196.00 173.00 2638 42.803 2.21288 -2.93814 0.566349 0.3167 11651 667.99 40.30 310 +3 156 -1 -11 19 17.00 189.00 2471 43.213 1.98991 -2.78517 0.530428 0.3162 11416 533.99 31.12 310 +3 157 0 -13 22 105.00 167.00 2261 42.593 2.11197 -2.83550 0.485346 0.2788 10235 342.71 21.77 310 +3 158 1 -12 25 188.00 16.00 2520 43.217 2.32951 -2.68397 0.540852 0.2944 9510 407.19 29.47 310 +3 159 -1 -11 25 16.00 39.00 2378 43.401 2.09662 -2.57604 0.510234 0.2944 9494 354.85 41.68 310 +3 160 1 -15 25 175.00 150.00 2069 42.624 2.20897 -2.88241 0.444200 0.2486 8781 100.39 15.20 310 +3 161 0 -5 8 103.00 197.00 5909 42.743 2.08461 -2.87451 1.268480 0.7344 6787 1983.63 64.20 310 +3 162 -1 -10 24 8.00 11.00 2564 43.734 2.10417 -2.52982 0.550164 0.3167 6170 131.92 22.64 310 +3 163 1 -13 20 187.00 189.00 2428 42.828 2.18835 -2.95050 0.521142 0.2933 5730 108.55 18.81 310 +3 164 1 -15 31 170.00 29.00 1997 43.014 2.29820 -2.68839 0.428721 0.2349 5278 58.66 15.49 310 +3 165 -1 -14 25 34.00 166.00 1967 42.957 2.02784 -2.76921 0.422262 0.2487 4854 84.82 10.78 310 +3 166 0 -12 24 106.00 76.00 2396 42.640 2.18452 -2.70370 0.514455 0.2898 4818 0.00 0.00 310 +3 167 1 -12 22 192.00 90.00 2582 42.749 2.27909 -2.80965 0.554216 0.3050 4684 172.78 17.59 310 +3 168 2 -16 24 240.00 186.00 2047 43.216 2.24956 -3.00647 0.439406 0.2435 4677 0.00 0.00 310 +3 169 -1 -11 22 19.00 112.00 2434 43.036 2.05011 -2.68245 0.522522 0.3057 4199 127.77 17.20 310 +3 170 -1 -12 20 21.00 204.00 2284 43.266 1.98293 -2.80816 0.490109 0.2928 3900 103.64 13.92 310 +3 171 1 -8 12 244.00 189.00 4100 43.273 2.25104 -3.01530 0.879901 0.4875 3638 384.38 35.35 310 +3 172 0 -11 20 107.00 128.00 2651 42.519 2.14596 -2.78200 0.569212 0.3239 3148 94.69 18.03 310 +3 173 0 -12 18 103.00 229.00 2473 42.987 2.05744 -2.91652 0.530924 0.3099 2967 68.46 10.85 310 +3 174 1 -11 15 201.00 247.00 2921 43.375 2.15031 -3.04203 0.626850 0.3563 2684 98.65 22.65 310 +3 175 1 -10 14 211.00 230.00 3230 43.278 2.17701 -3.03168 0.693174 0.3912 2547 67.97 19.55 310 +3 176 1 -11 21 200.00 64.00 2815 42.915 2.30914 -2.77635 0.604231 0.3303 2016 78.28 20.88 310 +3 177 1 -11 18 203.00 150.00 2881 42.778 2.24127 -2.91292 0.618550 0.3435 1779 75.83 14.43 310 +3 178 2 -17 31 229.00 80.00 1870 43.061 2.33072 -2.83414 0.401391 0.2184 1742 0.00 0.00 310 +3 179 0 -16 28 105.00 147.00 1830 42.540 2.12831 -2.80739 0.392997 0.2247 1715 69.27 13.32 310 +3 180 1 -10 17 212.00 128.00 3178 42.820 2.27078 -2.89029 0.682185 0.3762 1626 53.13 14.24 310 +3 181 -1 -9 20 5.00 63.00 2881 43.353 2.06697 -2.60256 0.618367 0.3599 1622 90.35 28.35 310 +3 182 0 -15 24 103.00 196.00 1969 42.737 2.08545 -2.87316 0.422641 0.2446 1565 47.42 8.04 310 +3 183 -1 -10 21 13.00 92.00 2635 43.141 2.05699 -2.64966 0.565467 0.3301 1537 58.48 8.23 310 +3 184 -1 -14 31 35.00 46.00 1907 43.177 2.11602 -2.60023 0.409317 0.2349 1448 22.98 8.96 310 +3 185 2 -17 25 233.00 198.00 1921 43.217 2.23077 -3.01468 0.412312 0.2296 1120 0.00 0.00 310 +3 186 1 -14 24 182.00 135.00 2220 42.636 2.22999 -2.86788 0.476677 0.2654 1045 28.11 8.60 310 +3 187 1 -15 22 173.00 216.00 2094 42.943 2.14823 -2.97163 0.449527 0.2557 1013 32.07 8.60 310 +3 188 2 -15 26 249.00 102.00 2161 43.187 2.33519 -2.89259 0.463725 0.2521 979 37.46 14.30 310 +3 189 0 -14 20 98.00 249.00 2124 43.197 2.03465 -2.93697 0.455834 0.2679 897 0.00 0.00 310 +3 190 -1 -13 30 28.00 24.00 2023 43.416 2.12145 -2.56270 0.434176 0.2488 860 35.80 8.38 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 27 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 191 -1 -4 6 174.00 28.00 5847 43.039 1.71959 -2.80790 1.255032 0.8282 136129 43439.62 216.42 310 +3 192 -1 -2 4 9.00 21.00 9163 43.626 1.55878 -2.63499 1.966209 1.3987 104969 140831.87 5132.09 310 +3 193 -1 -4 3 158.00 251.00 5499 43.221 1.47663 -3.01938 1.180167 0.8767 82665 45132.07 2617.77 310 +3 194 -1 -5 4 199.00 221.00 4682 43.118 1.54850 -3.03039 1.005031 0.7187 67340 17689.61 138.36 310 +3 195 -1 -5 7 215.00 35.00 4910 43.222 1.75380 -2.85720 1.053807 0.6854 59463 13149.89 120.92 310 +3 196 -3 -7 10 53.00 126.00 2761 42.749 1.49611 -2.78435 0.592831 0.4358 57346 4973.43 88.02 310 +3 197 -2 -5 6 67.00 173.00 3913 42.757 1.46225 -2.84692 0.839956 0.6290 54531 11419.64 112.84 310 +3 198 -2 -5 9 71.00 22.00 4041 43.139 1.62046 -2.69728 0.867380 0.5987 43410 7071.51 103.05 310 +3 199 -2 -4 5 7.00 199.00 4408 43.373 1.37613 -2.81200 0.946021 0.7448 34256 8629.01 222.89 310 +3 200 -3 -10 10 130.00 192.00 2148 42.687 1.50729 -2.93112 0.461133 0.3369 27718 1119.62 49.38 310 +3 201 -2 -6 7 111.00 158.00 3497 42.554 1.52251 -2.87673 0.750915 0.5443 27110 4792.60 76.03 310 +3 202 -1 -3 5 114.00 24.00 7173 42.987 1.66242 -2.74261 1.539721 1.0421 19240 9028.59 106.13 310 +3 203 -1 -6 8 241.00 40.00 4220 43.413 1.77453 -2.88907 0.905687 0.5841 18371 4479.56 71.43 310 +3 204 -3 -6 12 11.00 21.00 3064 43.605 1.56078 -2.63694 0.657391 0.4672 17878 1680.51 82.93 310 +3 205 -2 -9 7 181.00 236.00 2529 43.153 1.51507 -3.02739 0.542789 0.3950 17470 1170.17 48.85 310 +3 206 -1 -7 6 252.00 185.00 3593 43.337 1.63841 -3.04734 0.771005 0.5276 17154 2144.76 221.59 310 +3 207 -2 -9 13 195.00 32.00 2668 43.110 1.73679 -2.83356 0.572568 0.3751 15668 1112.85 46.72 310 +3 208 -3 -13 10 174.00 240.00 1733 43.161 1.50392 -3.02439 0.371911 0.2722 13054 201.65 42.70 310 +3 209 -2 -12 13 239.00 118.00 2087 43.059 1.69391 -2.96684 0.447878 0.2989 11958 231.14 24.01 310 +3 210 -3 -8 14 87.00 21.00 2587 43.079 1.63780 -2.71233 0.555236 0.3801 11420 657.49 34.71 310 +3 211 -4 -8 13 12.00 108.00 2265 43.112 1.47334 -2.72441 0.486238 0.3619 11235 540.65 37.19 310 +3 212 -2 -7 11 147.00 25.00 3226 42.986 1.69514 -2.77720 0.692487 0.4619 10729 833.71 39.87 310 +3 213 -3 -10 16 137.00 24.00 2226 42.983 1.68594 -2.76599 0.477926 0.3201 10300 233.94 20.25 310 +3 214 -2 -8 6 157.00 251.00 2751 43.218 1.47561 -3.01838 0.590449 0.4389 9968 1380.20 117.09 310 +3 215 -4 -11 13 91.00 166.00 1850 42.626 1.49383 -2.86440 0.397169 0.2923 9937 79.69 11.12 310 +3 216 -4 -11 19 93.00 22.00 1901 43.050 1.64293 -2.71937 0.408037 0.2787 8284 95.25 11.19 310 +3 217 -4 -8 16 9.00 21.00 2293 43.626 1.55878 -2.63499 0.492024 0.3500 8123 428.72 40.41 310 +3 218 -1 -6 5 231.00 200.00 4076 43.212 1.60215 -3.04137 0.874770 0.6091 7829 1421.17 39.97 310 +3 219 -5 -12 13 52.00 210.00 1581 43.058 1.40975 -2.86954 0.339311 0.2618 6784 0.00 0.00 310 +3 220 -2 -10 14 214.00 35.00 2452 43.215 1.75281 -2.85617 0.526321 0.3425 6592 253.94 20.88 310 +3 221 -2 -12 16 244.00 40.00 2112 43.443 1.77747 -2.89215 0.453134 0.2919 6123 194.81 19.68 310 +3 222 -4 -11 16 94.00 91.00 1884 42.610 1.57388 -2.79049 0.404583 0.2856 6016 95.62 10.89 310 +3 223 -4 -10 18 71.00 21.00 2020 43.148 1.62146 -2.69628 0.433533 0.2991 4776 91.53 10.19 310 +3 224 -3 -11 14 157.00 105.00 2057 42.562 1.62421 -2.86954 0.441550 0.3042 4454 55.57 11.97 310 +3 225 -2 -8 12 175.00 28.00 2922 43.043 1.72060 -2.80892 0.627165 0.4137 3578 139.83 17.50 310 +3 226 -3 -8 11 87.00 116.00 2547 42.580 1.54103 -2.80892 0.546889 0.3926 3483 173.45 14.94 310 +3 227 -2 -8 9 169.00 136.00 2865 42.581 1.60467 -2.91371 0.615128 0.4278 3093 209.49 20.89 310 +3 228 -2 -4 8 10.00 23.00 4577 43.597 1.55777 -2.63792 0.982116 0.6990 3065 883.19 52.28 310 +3 229 -3 -6 9 13.00 137.00 2997 43.089 1.44471 -2.75479 0.643345 0.4865 1911 83.12 15.76 310 +3 230 -3 -9 9 106.00 205.00 2294 42.790 1.46952 -2.91986 0.492500 0.3673 1636 45.08 8.93 310 +3 231 -3 -9 12 113.00 112.00 2360 42.520 1.57183 -2.83150 0.506774 0.3582 1626 54.54 10.96 310 +3 232 -2 -7 8 146.00 144.00 3157 42.528 1.57285 -2.89831 0.677758 0.4788 1525 143.84 14.29 310 +3 233 -4 -12 20 113.00 23.00 1794 42.997 1.66240 -2.74059 0.385060 0.2606 1329 29.03 9.68 310 +3 234 -5 -10 14 10.00 159.00 1783 43.160 1.41936 -2.77414 0.382751 0.2937 1323 104.87 10.96 310 +3 235 -3 -13 16 189.00 101.00 1814 42.701 1.66098 -2.89831 0.389392 0.2637 1270 52.75 7.71 310 +3 236 -5 -13 14 72.00 198.00 1512 42.860 1.44198 -2.87776 0.324567 0.2458 1051 0.00 0.00 310 +3 237 -2 -13 14 250.00 115.00 1950 43.176 1.70786 -2.97497 0.418504 0.2776 991 71.05 18.16 310 +3 238 -4 -10 12 67.00 173.00 1956 42.757 1.46225 -2.84692 0.419875 0.3144 960 35.81 9.34 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 36 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 239 1 -5 9 42.00 78.00 6694 39.969 2.45971 -2.90521 1.439232 0.7636 129894 42557.77 212.41 310 +3 240 1 -3 4 207.00 204.00 12403 40.084 2.49667 2.85476 2.666563 1.4057 97374 151777.96 404.56 310 +3 241 3 -8 14 249.00 46.00 4532 40.522 2.73204 3.03305 0.974090 0.4974 65688 11148.11 466.09 310 +3 242 2 -7 9 146.00 231.00 5213 40.031 2.40945 2.94102 1.120760 0.6001 57524 10224.89 105.46 310 +3 243 2 -8 13 102.00 122.00 4372 39.533 2.49038 -3.08503 0.940319 0.4962 50304 5429.81 165.27 310 +3 244 1 -4 8 93.00 5.00 8366 40.275 2.58595 -2.81276 1.798534 0.9351 45381 26750.34 634.10 310 +3 245 2 -6 11 192.00 30.00 5897 40.155 2.68928 -3.05933 1.267736 0.6504 35992 8052.14 95.69 310 +3 246 3 -9 12 205.00 203.00 4130 40.062 2.49634 2.86040 0.887989 0.4681 35324 3514.46 87.31 310 +3 247 2 -11 16 21.00 197.00 3098 40.274 2.32022 -3.08673 0.666076 0.3632 31102 1449.84 53.41 310 +3 248 2 -8 16 96.00 6.00 4185 40.254 2.58922 -2.81951 0.899663 0.4676 29051 2859.20 124.76 310 +3 249 3 -10 16 161.00 117.00 3589 39.560 2.56142 3.09523 0.771795 0.4027 22452 1425.79 68.10 310 +3 250 2 -7 12 141.00 81.00 5036 39.613 2.57850 -3.07334 1.083062 0.5637 20974 3018.14 113.15 310 +3 251 3 -11 14 131.00 239.00 3301 40.097 2.38588 2.95781 0.709643 0.3818 20430 1292.98 59.74 310 +3 252 2 -11 19 22.00 107.00 3031 40.055 2.40880 -2.93462 0.651702 0.3490 18115 1230.73 50.05 310 +3 253 4 -12 19 201.00 113.00 3035 39.770 2.60675 3.01406 0.652639 0.3383 17569 1060.96 60.33 310 +3 254 4 -12 16 206.00 202.00 3099 40.062 2.49847 2.85958 0.666165 0.3511 16642 1065.04 40.44 310 +3 255 2 -9 14 69.00 152.00 3851 39.694 2.42091 -3.08484 0.828165 0.4425 15557 1571.21 59.37 310 +3 256 3 -13 22 79.00 105.00 2645 39.638 2.48055 -3.01375 0.568881 0.3007 15551 641.66 41.16 310 +3 257 4 -13 20 172.00 135.00 2786 39.598 2.55171 3.03825 0.599163 0.3131 13695 639.57 35.62 310 +3 258 1 -4 5 102.00 251.00 8974 40.261 2.34431 2.99237 1.929205 1.0467 13678 12826.13 617.45 310 +3 259 2 -9 17 66.00 45.00 3724 40.009 2.51873 -2.86860 0.800675 0.4206 11806 924.44 41.19 310 +3 260 3 -16 22 29.00 223.00 2149 40.400 2.30185 -3.13723 0.461907 0.2529 11772 150.38 22.28 310 +3 261 3 -16 28 29.00 98.00 2087 40.008 2.42561 -2.92694 0.448719 0.2395 11588 176.37 22.43 310 +3 262 6 -16 28 248.00 45.00 2265 40.518 2.73224 3.03844 0.486840 0.2486 10966 219.80 26.78 310 +3 263 2 -6 8 206.00 203.00 6198 40.069 2.49716 2.85824 1.332433 0.7024 8038 1550.48 44.78 310 +3 264 5 -14 19 235.00 188.00 2675 40.229 2.53988 2.81334 0.575128 0.3011 8037 396.13 26.67 310 +3 265 3 -11 17 129.00 142.00 3238 39.510 2.49868 3.11207 0.696402 0.3670 7789 307.94 30.50 310 +3 266 5 -14 25 225.00 38.00 2564 40.338 2.71719 3.12055 0.551222 0.2819 7759 225.40 21.18 310 +3 267 3 -12 18 103.00 162.00 2947 39.586 2.44802 3.12432 0.633695 0.3369 7638 263.35 30.46 310 +3 268 4 -15 25 120.00 103.00 2340 39.532 2.53118 -3.07984 0.503163 0.2638 7600 188.24 25.85 310 +3 269 2 -11 22 18.00 24.00 2939 40.583 2.47129 -2.76344 0.631596 0.3344 7200 268.80 30.76 310 +3 270 5 -16 24 176.00 145.00 2276 39.628 2.54364 3.01195 0.489400 0.2561 6820 133.51 16.94 310 +3 271 1 -6 10 6.00 131.00 5542 40.208 2.36730 -2.95713 1.191310 0.6433 6611 934.63 76.08 310 +3 272 4 -15 19 123.00 244.00 2409 40.152 2.37241 2.96543 0.517811 0.2793 6400 244.71 30.51 310 +3 273 5 -14 22 231.00 112.00 2626 40.026 2.63572 2.94200 0.564659 0.2916 5925 154.28 20.24 310 +3 274 4 -11 15 244.00 186.00 3410 40.313 2.54928 2.79490 0.733005 0.3832 5769 513.22 45.82 310 +3 275 4 -12 22 195.00 30.00 2950 40.174 2.69272 -3.06632 0.634158 0.3252 5665 223.08 20.71 310 +3 276 3 -15 24 42.00 141.00 2272 39.861 2.40075 -3.02437 0.488485 0.2620 4902 68.64 11.46 310 +3 277 2 -10 15 45.00 177.00 3435 39.945 2.36760 -3.08992 0.738577 0.3988 4628 392.92 35.72 310 +3 278 5 -15 26 198.00 65.00 2388 39.927 2.65929 3.12271 0.513366 0.2643 4362 126.74 16.62 310 +3 279 4 -11 18 236.00 89.00 3326 40.136 2.66875 2.97345 0.715111 0.3678 4258 165.44 19.18 310 +3 280 4 -14 18 148.00 232.00 2607 40.044 2.41003 2.93595 0.560443 0.3001 3786 148.30 19.06 310 +3 281 2 -12 20 7.00 132.00 2768 40.197 2.36759 -2.96019 0.595086 0.3213 3660 70.44 22.22 310 +3 282 4 -16 20 102.00 250.00 2241 40.250 2.34549 2.99369 0.481838 0.2614 3376 86.86 29.59 310 +3 283 3 -14 20 61.00 196.00 2488 39.938 2.36501 3.13847 0.534885 0.2890 3362 124.76 14.95 310 +3 284 3 -11 20 125.00 52.00 3148 39.775 2.58786 -2.97790 0.676848 0.3518 3305 112.22 22.02 310 +3 285 4 -15 22 122.00 168.00 2386 39.581 2.46150 3.08011 0.513165 0.2722 2745 79.64 16.48 310 +3 286 3 -12 15 104.00 251.00 2991 40.257 2.34621 2.98900 0.642938 0.3487 2663 0.00 0.00 310 +3 287 6 -19 28 179.00 156.00 1924 39.667 2.53308 2.98680 0.413661 0.2168 2081 57.88 11.68 310 +3 288 6 -18 24 206.00 203.00 2065 40.069 2.49716 2.85824 0.444044 0.2341 1548 35.13 11.99 310 +3 289 7 -20 30 224.00 138.00 1848 39.953 2.59660 2.91388 0.397427 0.2063 1493 48.73 11.55 310 +3 290 3 -9 15 199.00 85.00 4013 39.833 2.63781 3.07564 0.862898 0.4455 1449 150.37 25.33 310 +3 291 4 -17 30 80.00 79.00 2010 39.722 2.50670 -2.96257 0.432214 0.2275 1385 41.68 13.37 310 +3 292 3 -12 21 98.00 80.00 2878 39.651 2.52802 -2.99367 0.618860 0.3246 1327 55.53 17.41 310 +3 293 2 -12 17 7.00 216.00 2820 40.566 2.28553 -3.09594 0.606212 0.3332 1312 0.00 0.00 310 +3 294 5 -19 24 118.00 243.00 1903 40.144 2.36893 2.97553 0.409123 0.2208 1229 0.00 0.00 310 +3 295 5 -18 26 137.00 175.00 2000 39.613 2.46876 3.04052 0.430087 0.2278 1045 30.57 8.92 310 +3 296 5 -17 31 151.00 46.00 2054 39.846 2.62533 -3.01238 0.441736 0.2284 986 28.83 11.02 310 +3 297 5 -16 21 178.00 216.00 2306 39.999 2.45676 2.89915 0.495854 0.2632 982 52.93 12.62 310 +3 298 3 -10 19 153.00 17.00 3466 40.117 2.65440 -2.94250 0.745185 0.3839 981 0.00 0.00 310 +3 299 6 -17 23 231.00 191.00 2203 40.206 2.53283 2.81861 0.473520 0.2482 969 0.00 0.00 310 +3 300 5 -17 25 156.00 163.00 2128 39.600 2.50215 3.02296 0.457667 0.2410 825 0.00 0.00 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 37 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 301 0 -10 10 109.00 112.00 2945 39.528 1.88141 -3.10211 0.633423 0.3920 60805 5785.97 140.85 310 +3 302 1 -8 6 227.00 178.00 4043 40.097 1.93393 2.96581 0.869277 0.5280 45655 5311.96 77.37 310 +3 303 1 -9 7 213.00 166.00 3566 39.923 1.93336 2.99591 0.766755 0.4658 44266 5427.82 107.36 310 +3 304 1 -8 9 247.00 38.00 4128 40.563 2.11187 3.10388 0.887186 0.5097 31826 4858.15 212.10 310 +3 305 0 -13 10 97.00 192.00 2222 39.745 1.78010 3.10337 0.477754 0.3074 28550 1116.23 51.88 310 +3 306 0 -6 6 108.00 112.00 4901 39.530 1.88029 -3.10096 1.054072 0.6526 27887 6886.57 85.74 310 +3 307 1 -12 7 169.00 245.00 2548 40.244 1.79756 2.96346 0.547773 0.3500 17482 1216.57 68.91 310 +3 308 1 -12 13 197.00 62.00 2656 39.939 2.03321 3.13670 0.571051 0.3358 17472 920.02 41.40 310 +3 309 -1 -11 13 29.00 80.00 2470 40.074 1.82524 -2.97634 0.531057 0.3356 16013 745.40 39.62 310 +3 310 1 -7 5 245.00 188.00 4677 40.336 1.94051 2.93327 1.005388 0.6093 12057 2153.84 101.74 310 +3 311 2 -17 16 230.00 107.00 1920 40.025 2.01827 3.04212 0.412718 0.2438 10575 69.02 13.36 310 +3 312 1 -10 8 202.00 161.00 3183 39.821 1.92764 3.01477 0.684352 0.4166 9225 730.14 31.67 310 +3 313 0 -16 10 85.00 240.00 1770 40.193 1.71471 3.06462 0.380599 0.2517 8754 130.97 16.78 310 +3 314 -1 -14 19 48.00 19.00 1985 40.365 1.90949 -2.92409 0.426786 0.2615 8605 134.26 17.78 310 +3 315 -1 -14 13 36.00 155.00 1952 39.939 1.75361 -3.07032 0.419633 0.2730 8160 124.64 17.92 310 +3 316 0 -11 14 116.00 21.00 2700 40.051 1.98597 -3.00042 0.580542 0.3465 7942 342.54 30.94 310 +3 317 2 -17 13 220.00 173.00 1893 40.010 1.93253 2.97973 0.406967 0.2473 7931 78.99 11.99 310 +3 318 0 -13 16 114.00 35.00 2283 39.920 1.96927 -3.01536 0.490914 0.2946 7677 268.43 25.26 310 +3 319 1 -15 16 179.00 72.00 2092 39.776 2.00278 -3.13675 0.449935 0.2671 7415 152.21 13.90 310 +3 320 1 -15 13 170.00 144.00 2070 39.600 1.91296 3.07242 0.445064 0.2723 7292 147.27 12.80 310 +3 321 0 -4 4 108.00 111.00 7363 39.532 1.88139 -3.09979 1.583467 0.9799 7022 4208.90 94.83 310 +3 322 -1 -14 16 46.00 88.00 1974 39.895 1.83611 -3.00381 0.424402 0.2671 6250 105.97 13.20 310 +3 323 2 -15 14 247.00 108.00 2203 40.203 2.03456 3.01976 0.473618 0.2784 6160 156.70 27.82 310 +3 324 0 -9 12 120.00 5.00 3303 40.222 2.00678 -2.98514 0.710015 0.4210 5993 342.14 47.49 310 +3 325 -1 -12 14 34.00 80.00 2283 40.028 1.83090 -2.98162 0.490821 0.3095 3481 63.62 14.31 310 +3 326 1 -13 14 189.00 67.00 2435 39.858 2.01912 3.14038 0.523670 0.3093 3062 84.98 15.95 310 +3 327 1 -11 9 192.00 157.00 2874 39.742 1.92169 3.03130 0.618026 0.3770 2959 135.01 15.74 310 +3 328 0 -8 8 108.00 112.00 3679 39.530 1.88029 -3.10096 0.791131 0.4898 2853 204.95 24.83 310 +3 329 -1 -10 9 10.00 173.00 2641 40.260 1.70613 -3.06264 0.567718 0.3768 2340 87.64 11.01 310 +3 330 0 -2 2 106.00 112.00 14722 39.534 1.87806 -3.09867 3.166076 1.9617 2286 15548.07 130.49 310 +3 331 1 -13 8 166.00 235.00 2351 40.125 1.80569 2.97736 0.505542 0.3220 2021 59.48 15.89 310 +3 332 -1 -9 11 11.00 73.00 2968 40.292 1.81213 -2.94942 0.637926 0.4052 2002 81.50 14.08 310 +3 333 1 -10 11 219.00 54.00 3236 40.160 2.06541 3.11934 0.695683 0.4051 1686 117.04 17.27 310 +3 334 2 -18 14 213.00 167.00 1784 39.927 1.93221 2.99481 0.383509 0.2331 1676 0.00 0.00 310 +3 335 1 -18 19 166.00 80.00 1726 39.680 1.97979 -3.13079 0.371243 0.2220 1478 0.00 0.00 310 +3 336 0 -17 20 114.00 52.00 1745 39.783 1.95152 -3.03610 0.375208 0.2265 1390 36.43 8.90 310 +3 337 2 -17 19 239.00 41.00 1931 40.451 2.10039 3.11029 0.415104 0.2392 1357 49.29 8.05 310 +3 338 1 -11 6 176.00 250.00 2798 40.330 1.79918 2.95020 0.601531 0.3841 1003 0.00 0.00 310 +3 339 1 -18 13 148.00 198.00 1684 39.760 1.82837 3.03798 0.362175 0.2286 975 21.35 7.31 310 +3 340 1 -15 19 186.00 5.00 2096 40.381 2.08124 -3.06213 0.450653 0.2612 966 0.00 0.00 310 +3 341 1 -16 14 166.00 141.00 1932 39.580 1.91202 3.08063 0.415550 0.2543 898 20.84 7.45 310 +3 342 0 -9 6 90.00 230.00 3165 40.072 1.73089 3.06973 0.680388 0.4468 868 55.39 11.69 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 38 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 343 -2 -6 4 110.00 19.00 3277 40.080 1.35903 -3.00061 0.704593 0.5606 52003 6717.32 88.22 310 +3 344 -1 -3 2 110.00 17.00 6560 40.101 1.36126 -2.99850 1.410243 1.1205 48185 32051.41 190.24 310 +3 345 -1 -5 1 166.00 125.00 4142 39.572 1.30218 3.10035 0.890761 0.7349 41659 12016.01 115.54 310 +3 346 -2 -5 3 64.00 55.00 3590 39.947 1.27009 -2.98519 0.771961 0.6507 33949 6781.24 89.86 310 +3 347 -1 -8 1 215.00 139.00 2775 39.875 1.34191 3.02996 0.596761 0.4799 29393 2805.61 56.46 310 +3 348 -1 -7 3 233.00 43.00 3348 40.374 1.46385 3.11873 0.719685 0.5384 27463 2697.18 64.58 310 +3 349 -2 -6 1 76.00 154.00 2918 39.662 1.17072 -3.11168 0.627595 0.5680 24031 3329.42 70.83 310 +3 350 -1 -2 1 6.00 109.00 7781 40.224 1.14847 -2.97406 1.672807 1.5398 22372 52467.23 2055.29 310 +3 351 -2 -9 1 143.00 155.00 2191 39.548 1.24375 3.09140 0.471191 0.4044 20636 928.84 33.27 310 +3 352 -1 -11 1 239.00 148.00 2077 40.117 1.35923 2.99399 0.446488 0.3552 20234 555.96 29.83 310 +3 353 -1 -6 2 204.00 78.00 3722 39.899 1.39522 3.11156 0.800269 0.6229 20051 3381.40 61.66 310 +3 354 -2 -9 4 171.00 53.00 2383 39.858 1.38656 -3.10701 0.512354 0.4009 17148 1093.71 46.35 310 +3 355 -4 -8 7 20.00 15.00 2097 40.654 1.27120 -2.89149 0.450595 0.3795 13732 506.93 28.09 310 +3 356 -3 -10 -2 59.00 252.00 1615 40.464 1.04734 3.07171 0.347060 0.3470 12914 383.27 81.22 310 +3 357 -2 -12 4 204.00 79.00 1859 39.895 1.39414 3.11043 0.399758 0.3114 12096 200.50 17.97 310 +3 358 -4 -11 1 51.00 180.00 1500 39.914 1.11505 -3.11233 0.322411 0.3047 11108 55.20 11.37 310 +3 359 -3 -7 4 46.00 69.00 2459 39.984 1.23536 -2.97883 0.528711 0.4565 10113 635.93 29.98 310 +3 360 -2 -7 -1 72.00 233.00 2399 40.181 1.08116 3.07994 0.515840 0.5012 9620 552.68 25.04 310 +3 361 -1 -9 2 238.00 106.00 2572 40.108 1.40245 3.04307 0.552991 0.4286 8105 261.22 25.02 310 +3 362 -1 -6 -1 145.00 231.00 3197 40.029 1.16558 2.99736 0.687438 0.6245 7834 941.23 39.46 310 +3 363 -3 -10 4 114.00 85.00 1937 39.596 1.28927 -3.07721 0.416481 0.3465 7712 161.17 14.32 310 +3 364 -4 -11 4 72.00 108.00 1615 39.667 1.21810 -3.05344 0.347391 0.3036 7224 73.39 16.54 310 +3 365 -4 -8 4 5.00 106.00 1950 40.241 1.15093 -2.96950 0.419193 0.3851 7188 485.91 54.55 310 +3 366 -2 -11 6 210.00 13.00 2088 40.451 1.47129 -3.10684 0.448713 0.3343 7138 136.95 15.98 310 +3 367 -1 -10 0 219.00 177.00 2201 40.020 1.30634 2.98140 0.473135 0.3893 7101 145.22 14.33 310 +3 368 -4 -10 0 20.00 210.00 1532 40.378 1.04967 -3.11039 0.329408 0.3287 6851 54.59 9.13 310 +3 369 -1 -11 -2 197.00 233.00 1900 40.264 1.22355 2.93821 0.408466 0.3556 6345 84.91 12.30 310 +3 370 -2 -12 1 178.00 154.00 1739 39.657 1.28425 3.05302 0.373958 0.3122 5893 108.85 12.01 310 +3 371 -3 -9 0 59.00 199.00 1852 39.971 1.10298 3.13792 0.398206 0.3800 5842 150.26 16.86 310 +3 372 -1 -14 1 251.00 151.00 1661 40.257 1.36947 2.97800 0.356971 0.2822 5273 72.48 26.90 310 +3 373 -2 -9 -2 101.00 249.00 1955 40.241 1.09710 3.02540 0.420175 0.4029 4675 169.55 30.48 310 +3 374 -3 -8 5 80.00 40.00 2319 39.976 1.30389 -2.98800 0.498566 0.4109 3833 136.31 16.92 310 +3 375 -1 -8 4 251.00 16.00 3021 40.817 1.51100 3.12872 0.649211 0.4734 3682 195.66 51.28 310 +3 376 -1 -7 0 185.00 178.00 2986 39.782 1.26662 3.01693 0.642102 0.5425 3307 219.83 21.88 310 +3 377 -4 -9 2 17.00 163.00 1729 40.146 1.09821 -3.04978 0.371740 0.3561 3050 77.06 9.42 310 +3 378 -3 -8 -1 22.00 241.00 1899 40.644 1.01896 3.13149 0.408251 0.4185 2748 59.27 9.11 310 +3 379 -2 -8 3 146.00 80.00 2555 39.625 1.32965 -3.10865 0.549470 0.4453 2683 178.41 14.85 310 +3 380 -1 -4 0 112.00 190.00 4614 39.700 1.17113 3.08540 0.992117 0.8976 2397 391.06 29.88 310 +3 381 -4 -13 0 73.00 197.00 1319 39.875 1.12037 3.12333 0.283597 0.2669 2340 0.00 0.00 310 +3 382 -3 -8 2 57.00 142.00 2123 39.750 1.16370 -3.07450 0.456604 0.4154 2232 15.87 5.51 310 +3 383 -1 -8 -2 162.00 250.00 2449 40.275 1.16595 2.95519 0.526445 0.4781 2112 143.82 29.04 310 +3 384 -2 -10 5 193.00 32.00 2231 40.143 1.43298 -3.10862 0.479555 0.3651 1749 58.96 9.44 310 +3 385 -2 -8 0 111.00 192.00 2297 39.714 1.16786 3.08415 0.493899 0.4479 1639 60.93 9.65 310 +3 386 -3 -13 -2 106.00 232.00 1376 40.047 1.12013 3.04081 0.295741 0.2783 1481 32.91 9.50 310 +3 387 -2 -15 4 225.00 95.00 1522 40.007 1.39992 3.06948 0.327195 0.2540 1454 19.41 5.16 310 +3 388 -4 -11 7 88.00 34.00 1713 39.995 1.31907 -2.99098 0.368286 0.3005 1366 50.19 13.19 310 +3 389 -2 -15 7 244.00 27.00 1593 40.628 1.49226 3.12433 0.342460 0.2523 1345 25.79 8.39 310 +3 390 -5 -11 6 29.00 84.00 1508 40.057 1.20061 -2.97465 0.324299 0.2870 1159 20.26 7.05 310 +3 391 -4 -14 7 131.00 53.00 1436 39.768 1.34343 -3.06143 0.308706 0.2480 1142 14.16 3.99 310 +3 392 -3 -12 6 156.00 44.00 1749 39.875 1.38027 -3.08017 0.376110 0.2954 1085 19.99 4.51 310 +3 393 -1 -13 0 238.00 175.00 1737 40.193 1.32993 2.96377 0.373450 0.3026 1048 27.22 6.84 310 +3 394 -2 -12 -2 146.00 231.00 1603 40.031 1.16673 2.99624 0.344720 0.3129 863 14.16 4.45 310 +3 395 -2 -4 2 6.00 107.00 3898 40.227 1.15078 -2.97184 0.837939 0.7699 835 273.21 39.22 310 +0 NRUN DETNUM CHI PHI OMEGA MONCNT +1 5637 47 0.00 0.00 0.00 0 +2 SEQN H K L COL ROW CHAN L2 2_THETA AZ WL D IPK INTI SIGI RFLG +3 396 0 -3 0 24.00 195.00 8213 43.181 1.39687 2.89934 1.762812 1.3707 367211 410280.50 712.94 310 +3 397 0 -6 0 24.00 196.00 4100 43.187 1.39587 2.89831 0.880072 0.6847 188236 35175.94 194.56 310 +3 398 1 -6 1 223.00 139.00 5058 42.914 1.65644 2.75276 1.085724 0.7369 75807 16850.28 133.14 310 +3 399 1 -9 4 204.00 20.00 3415 43.275 1.75769 2.89420 0.732823 0.4759 55723 4779.23 99.29 310 +3 400 1 -9 1 154.00 157.00 3156 42.571 1.56772 2.80482 0.677694 0.4799 34922 3909.53 89.15 310 +3 401 0 -9 0 23.00 195.00 2734 43.190 1.39588 2.90037 0.586732 0.4565 31366 2207.29 62.18 310 +3 402 1 -8 3 211.00 49.00 3840 43.086 1.73585 2.85720 0.824292 0.5402 25661 3699.24 77.64 310 +3 403 2 -11 1 227.00 173.00 2734 43.034 1.62566 2.71434 0.586882 0.4041 25227 1582.45 42.18 310 +3 404 1 -12 1 120.00 163.00 2293 42.559 1.52663 2.83356 0.492365 0.3561 20028 780.46 35.28 310 +3 405 1 -7 2 217.00 88.00 4367 42.928 1.70250 2.81097 0.937382 0.6232 17734 4585.24 76.78 310 +3 406 0 -10 4 78.00 44.00 2730 42.921 1.60542 2.99825 0.585960 0.4073 16451 1053.49 37.75 310 +3 407 1 -12 4 158.00 66.00 2439 42.711 1.66507 2.89420 0.523700 0.3540 15576 801.23 43.03 310 +3 408 -1 -14 7 16.00 13.00 1847 43.633 1.57380 3.09066 0.396266 0.2798 13076 44.24 11.17 310 +3 409 0 -5 2 77.00 42.00 5458 42.941 1.60643 3.00128 1.171619 0.8141 11093 4125.94 94.14 310 +3 410 2 -14 1 180.00 176.00 2065 42.729 1.57489 2.75886 0.443416 0.3129 9733 291.73 24.63 310 +3 411 2 -14 4 219.00 88.00 2184 42.944 1.70450 2.80892 0.468715 0.3113 8805 356.33 23.06 310 +3 412 0 -13 4 66.00 78.00 2058 42.779 1.55854 2.97598 0.441725 0.3143 8334 153.68 16.97 310 +3 413 1 -15 4 130.00 91.00 1891 42.560 1.61085 2.89728 0.405998 0.2815 8203 130.82 13.79 310 +3 414 1 -10 2 153.00 119.00 2883 42.532 1.60574 2.84486 0.618896 0.4302 7936 448.78 27.04 310 +3 415 1 -15 1 99.00 167.00 1797 42.606 1.50100 2.85103 0.385733 0.2828 6750 111.86 13.55 310 +3 416 1 -15 7 158.00 11.00 1969 43.147 1.72024 2.95054 0.422652 0.2788 5784 117.23 20.39 310 +3 417 1 -11 0 112.00 198.00 2453 42.733 1.48274 2.80585 0.526652 0.3899 5711 246.20 21.89 310 +3 418 1 -8 0 148.00 203.00 3483 42.774 1.51458 2.76395 0.747693 0.5442 4039 506.96 31.74 310 +3 419 1 -5 0 229.00 215.00 5949 43.299 1.58493 2.67040 1.276753 0.8965 3596 774.23 41.90 310 +3 420 0 -12 0 24.00 192.00 2052 43.163 1.39988 2.90242 0.440533 0.3419 3538 96.84 14.59 310 +3 421 1 -14 0 94.00 196.00 1891 42.760 1.46637 2.82637 0.406066 0.3034 3528 66.55 8.59 310 +3 422 0 -8 2 61.00 99.00 3305 42.735 1.53193 2.95971 0.709513 0.5117 3248 404.44 22.91 310 +3 423 2 -12 -1 174.00 243.00 2341 43.191 1.50093 2.69728 0.502529 0.3684 3125 57.92 11.79 310 +3 424 1 -11 3 155.00 88.00 2648 42.604 1.63958 2.87468 0.568524 0.3889 2739 95.58 12.44 310 +3 425 2 -10 0 227.00 217.00 2965 43.297 1.58089 2.67040 0.636294 0.4477 1980 116.98 17.22 310 +3 426 0 -12 6 89.00 4.00 2320 43.245 1.65680 3.02739 0.497883 0.3378 1892 40.36 15.59 310 +3 427 2 -17 1 152.00 176.00 1659 42.632 1.54620 2.78742 0.356194 0.2550 1622 24.41 7.32 310 +3 428 2 -17 4 181.00 106.00 1742 42.649 1.64772 2.82945 0.373972 0.2548 1474 32.30 6.35 310 +3 429 1 -10 -1 102.00 240.00 2627 43.094 1.43040 2.77312 0.563766 0.4299 1366 84.67 12.54 310 +3 430 0 -7 1 47.00 143.00 3672 42.801 1.47263 2.92907 0.788303 0.5869 1125 109.27 14.93 310 +3 431 0 -4 1 62.00 102.00 6592 42.721 1.52987 2.95564 1.415166 1.0218 1113 445.43 39.82 310 +3 432 2 -17 7 207.00 34.00 1805 43.171 1.74682 2.87673 0.387431 0.2527 1047 33.37 8.54 310 +3 433 2 -16 0 148.00 202.00 1746 42.767 1.51559 2.76497 0.374808 0.2727 961 18.62 6.11 310 +3 434 0 -15 6 78.00 46.00 1818 42.907 1.60340 2.99623 0.390170 0.2715 894 34.28 7.19 310