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wk1995.cpp

#include <cctbx/eltbx/xray_scattering.h>

namespace cctbx { namespace eltbx { namespace xray_scattering {

  namespace {

    /*
      wk1995_raw_table contains the reformatted data found in

          ftp://wrzx02.rz.uni-wuerzburg.de/pub/local/Crystallography/sfac.dat

      File picked up Jul  4, 1995.
      File verified  Sep 12, 2001.
     */

    static const detail::raw_table_entry<5> wk1995_raw_table[] =
    {
// BEGIN_COMPILED_IN_REFERENCE_DATA
      { "H",     { 0.413048, 0.294953, 0.187491, 0.080701, 0.023736 },
                 { 15.569946, 32.398468, 5.711404, 61.889874, 1.334118 },
                 0.000049 },
      { "He",    { 0.732354, 0.753896, 0.283819, 0.190003, 0.039139 },
                 { 11.553918, 4.595831, 1.546299, 26.463964, 0.377523 },
                 0.000487 },
      { "Li",    { 0.974637, 0.158472, 0.811855, 0.262416, 0.790108 },
                 { 4.334946, 0.342451, 97.102966, 201.363831, 1.409234 },
                 0.002542 },
      { "Be",    { 1.533712, 0.638283, 0.601052, 0.106139, 1.118414 },
                 { 42.662079, 0.595420, 99.106499, 0.151340, 1.843093 },
                 0.002511 },
      { "B",     { 2.085185, 1.064580, 1.062788, 0.140515, 0.641784 },
                 { 23.494068, 1.137894, 61.238976, 0.114886, 0.399036 },
                 0.003823 },
      { "C",     { 2.657506, 1.078079, 1.490909, -4.241070, 0.713791 },
                 { 14.780758, 0.776775, 42.086842, -0.000294, 0.239535 },
                 4.297983 },
      { "N",     { 11.893780, 3.277479, 1.858092, 0.858927, 0.912985 },
                 { 0.000158, 10.232723, 30.344690, 0.656065, 0.217287 },
                 -11.804902 },
      { "O",     { 2.960427, 2.508818, 0.637853, 0.722838, 1.142756 },
                 { 14.182259, 5.936858, 0.112726, 34.958481, 0.390240 },
                 0.027014 },
      { "F",     { 3.511943, 2.772244, 0.678385, 0.915159, 1.089261 },
                 { 10.687859, 4.380466, 0.093982, 27.255203, 0.313066 },
                 0.032557 },
      { "Ne",    { 4.183749, 2.905726, 0.520513, 1.135641, 1.228065 },
                 { 8.175457, 3.252536, 0.063295, 21.813910, 0.224952 },
                 0.025576 },
      { "Na",    { 4.910127, 3.081783, 1.262067, 1.098938, 0.560991 },
                 { 3.281434, 9.119178, 0.102763, 132.013947, 0.405878 },
                 0.079712 },
      { "Mg",    { 4.708971, 1.194814, 1.558157, 1.170413, 3.239403 },
                 { 4.875207, 108.506081, 0.111516, 48.292408, 1.928171 },
                 0.126842 },
      { "Al",    { 4.730796, 2.313951, 1.541980, 1.117564, 3.154754 },
                 { 3.628931, 43.051167, 0.095960, 108.932388, 1.555918 },
                 0.139509 },
      { "Si",    { 5.275329, 3.191038, 1.511514, 1.356849, 2.519114 },
                 { 2.631338, 33.730728, 0.081119, 86.288643, 1.170087 },
                 0.145073 },
      { "P",     { 1.950541, 4.146930, 1.494560, 1.522042, 5.729711 },
                 { 0.908139, 27.044952, 0.071280, 67.520187, 1.981173 },
                 0.155233 },
      { "S",     { 6.372157, 5.154568, 1.473732, 1.635073, 1.209372 },
                 { 1.514347, 22.092527, 0.061373, 55.445175, 0.646925 },
                 0.154722 },
      { "Cl",    { 1.446071, 6.870609, 6.151801, 1.750347, 0.634168 },
                 { 0.052357, 1.193165, 18.343416, 46.398396, 0.401005 },
                 0.146773 },
      { "Ar",    { 7.188004, 6.638454, 0.454180, 1.929593, 1.523654 },
                 { 0.956221, 15.339877, 15.339862, 39.043823, 0.062409 },
                 0.265954 },
      { "K",     { 8.163991, 7.146945, 1.070140, 0.877316, 1.486434 },
                 { 12.816323, 0.808945, 210.327011, 39.597652, 0.052821 },
                 0.253614 },
      { "Ca",    { 8.593655, 1.477324, 1.436254, 1.182839, 7.113258 },
                 { 10.460644, 0.041891, 81.390381, 169.847839, 0.688098 },
                 0.196255 },
      { "Sc",    { 1.476566, 1.487278, 1.600187, 9.177463, 7.099750 },
                 { 53.131023, 0.035325, 137.319489, 9.098031, 0.602102 },
                 0.157765 },
      { "Ti",    { 9.818524, 1.522646, 1.703101, 1.768774, 7.082555 },
                 { 8.001879, 0.029763, 39.885422, 120.157997, 0.532405 },
                 0.102473 },
      { "V",     { 10.473575, 1.547881, 1.986381, 1.865616, 7.056250 },
                 { 7.081940, 0.026040, 31.909672, 108.022842, 0.474882 },
                 0.067744 },
      { "Cr",    { 11.007069, 1.555477, 2.985293, 1.347855, 7.034779 },
                 { 6.366281, 0.023987, 23.244839, 105.774498, 0.429369 },
                 0.065510 },
      { "Mn",    { 11.709542, 1.733414, 2.673141, 2.023368, 7.003180 },
                 { 5.597120, 0.017800, 21.788420, 89.517914, 0.383054 },
                 -0.147293 },
      { "Fe",    { 12.311098, 1.876623, 3.066177, 2.070451, 6.975185 },
                 { 5.009415, 0.014461, 18.743040, 82.767876, 0.346506 },
                 -0.304931 },
      { "Co",    { 12.914510, 2.481908, 3.466894, 2.106351, 6.960892 },
                 { 4.507138, 0.009126, 16.438129, 76.987320, 0.314418 },
                 -0.936572 },
      { "Ni",    { 13.521865, 6.947285, 3.866028, 2.135900, 4.284731 },
                 { 4.077277, 0.286763, 14.622634, 71.966080, 0.004437 },
                 -2.762697 },
      { "Cu",    { 14.014192, 4.784577, 5.056806, 1.457971, 6.932996 },
                 { 3.738280, 0.003744, 13.034982, 72.554794, 0.265666 },
                 -3.254477 },
      { "Zn",    { 14.741002, 6.907748, 4.642337, 2.191766, 38.424042 },
                 { 3.388232, 0.243315, 11.903689, 63.312130, 0.000397 },
                 -36.915829 },
      { "Ga",    { 15.758946, 6.841123, 4.121016, 2.714681, 2.395246 },
                 { 3.121754, 0.226057, 12.482196, 66.203621, 0.007238 },
                 -0.847395 },
      { "Ge",    { 16.540613, 1.567900, 3.727829, 3.345098, 6.785079 },
                 { 2.866618, 0.012198, 13.432163, 58.866047, 0.210974 },
                 0.018726 },
      { "As",    { 17.025642, 4.503441, 3.715904, 3.937200, 6.790175 },
                 { 2.597739, 0.003012, 14.272119, 50.437996, 0.193015 },
                 -2.984117 },
      { "Se",    { 17.354071, 4.653248, 4.259489, 4.136455, 6.749163 },
                 { 2.349787, 0.002550, 15.579460, 45.181202, 0.177432 },
                 -3.160982 },
      { "Br",    { 17.550570, 5.411882, 3.937180, 3.880645, 6.707793 },
                 { 2.119226, 16.557184, 0.002481, 42.164009, 0.162121 },
                 -2.492088 },
      { "Kr",    { 17.655279, 6.848105, 4.171004, 3.446760, 6.685200 },
                 { 1.908231, 16.606236, 0.001598, 39.917473, 0.146896 },
                 -2.810592 },
      { "Rb",    { 8.123134, 2.138042, 6.761702, 1.156051, 17.679546 },
                 { 15.142385, 33.542667, 0.129372, 224.132507, 1.713368 },
                 1.139548 },
      { "Sr",    { 17.730219, 9.795867, 6.099763, 2.620025, 0.600053 },
                 { 1.563060, 14.310868, 0.120574, 135.771317, 0.120574 },
                 1.140251 },
      { "Y",     { 17.792040, 10.253252, 5.714949, 3.170516, 0.918251 },
                 { 1.429691, 13.132816, 0.112173, 108.197029, 0.112173 },
                 1.131787 },
      { "Zr",    { 17.859772, 10.911038, 5.821115, 3.512513, 0.746965 },
                 { 1.310692, 12.319285, 0.104353, 91.777542, 0.104353 },
                 1.124859 },
      { "Nb",    { 17.958399, 12.063054, 5.007015, 3.287667, 1.531019 },
                 { 1.211590, 12.246687, 0.098615, 75.011948, 0.098615 },
                 1.123452 },
      { "Mo",    { 6.236218, 17.987711, 12.973127, 3.451426, 0.210899 },
                 { 0.090780, 1.108310, 11.468720, 66.684151, 0.090780 },
                 1.108770 },
      { "Tc",    { 17.840963, 3.428236, 1.373012, 12.947364, 6.335469 },
                 { 1.005729, 41.901382, 119.320541, 9.781542, 0.083391 },
                 1.074784 },
      { "Ru",    { 6.271624, 17.906738, 14.123269, 3.746008, 0.908235 },
                 { 0.077040, 0.928222, 9.555345, 35.860680, 123.552246 },
                 1.043992 },
      { "Rh",    { 6.216648, 17.919739, 3.854252, 0.840326, 15.173498 },
                 { 0.070789, 0.856121, 33.889484, 121.686691, 9.029517 },
                 0.995452 },
      { "Pd",    { 6.121511, 4.784063, 16.631683, 4.318258, 13.246773 },
                 { 0.062549, 0.784031, 8.751391, 34.489983, 0.784031 },
                 0.883099 },
      { "Ag",    { 6.073874, 17.155437, 4.173344, 0.852238, 17.988686 },
                 { 0.055333, 7.896512, 28.443739, 110.376106, 0.716809 },
                 0.756603 },
      { "Cd",    { 6.080986, 18.019468, 4.018197, 1.303510, 17.974669 },
                 { 0.048990, 7.273646, 29.119284, 95.831207, 0.661231 },
                 0.603504 },
      { "In",    { 6.196477, 18.816183, 4.050479, 1.638929, 17.962912 },
                 { 0.042072, 6.695665, 31.009790, 103.284348, 0.610714 },
                 0.333097 },
      { "Sn",    { 19.325171, 6.281571, 4.498866, 1.856934, 17.917318 },
                 { 6.118104, 0.036915, 32.529045, 95.037186, 0.565651 },
                 0.119024 },
      { "Sb",    { 5.394956, 6.549570, 19.650681, 1.827820, 17.867832 },
                 { 33.326523, 0.030974, 5.564929, 87.130966, 0.523992 },
                 -0.290506 },
      { "Te",    { 6.660302, 6.940756, 19.847015, 1.557175, 17.802427 },
                 { 33.031654, 0.025750, 5.065547, 84.101616, 0.487660 },
                 -0.806668 },
      { "I",     { 19.884502, 6.736593, 8.110516, 1.170953, 17.548716 },
                 { 4.628591, 0.027754, 31.849096, 84.406387, 0.463550 },
                 -0.448811 },
      { "Xe",    { 19.978920, 11.774945, 9.332182, 1.244749, 17.737501 },
                 { 4.143356, 0.010142, 28.796200, 75.280685, 0.413616 },
                 -6.065902 },
      { "Cs",    { 17.418674, 8.314444, 10.323193, 1.383834, 19.876251 },
                 { 0.399828, 0.016872, 25.605827, 233.339676, 3.826915 },
                 -2.322802 },
      { "Ba",    { 19.747343, 17.368477, 10.465718, 2.592602, 11.003653 },
                 { 3.481823, 0.371224, 21.226641, 173.834274, 0.010719 },
                 -5.183497 },
      { "La",    { 19.966019, 27.329655, 11.018425, 3.086696, 17.335455 },
                 { 3.197408, 0.003446, 19.955492, 141.381973, 0.341817 },
                 -21.745489 },
      { "Ce",    { 17.355122, 43.988499, 20.546650, 3.130670, 11.353665 },
                 { 0.328369, 0.002047, 3.088196, 134.907654, 18.832960 },
                 -38.386017 },
      { "Pr",    { 21.551311, 17.161730, 11.903859, 2.679103, 9.564197 },
                 { 2.995675, 0.312491, 17.716705, 152.192825, 0.010468 },
                 -3.871068 },
      { "Nd",    { 17.331244, 62.783924, 12.160097, 2.663483, 22.239950 },
                 { 0.300269, 0.001320, 17.026001, 148.748993, 2.910268 },
                 -57.189842 },
      { "Pm",    { 17.286388, 51.560162, 12.478557, 2.675515, 22.960947 },
                 { 0.286620, 0.001550, 16.223755, 143.984512, 2.796480 },
                 -45.973682 },
      { "Sm",    { 23.700363, 23.072214, 12.777782, 2.684217, 17.204367 },
                 { 2.689539, 0.003491, 15.495437, 139.862473, 0.274536 },
                 -17.452166 },
      { "Eu",    { 17.186195, 37.156837, 13.103387, 2.707246, 24.419271 },
                 { 0.261678, 0.001995, 14.787360, 134.816299, 2.581883 },
                 -31.586687 },
      { "Gd",    { 24.898117, 17.104952, 13.222581, 3.266152, 48.995213 },
                 { 2.435028, 0.246961, 13.996325, 110.863091, 0.001383 },
                 -43.505684 },
      { "Tb",    { 25.910013, 32.344139, 13.765117, 2.751404, 17.064405 },
                 { 2.373912, 0.002034, 13.481969, 125.836510, 0.236916 },
                 -26.851971 },
      { "Dy",    { 26.671785, 88.687576, 14.065445, 2.768497, 17.067781 },
                 { 2.282593, 0.000665, 12.920230, 121.937187, 0.225531 },
                 -83.279831 },
      { "Ho",    { 27.150190, 16.999819, 14.059334, 3.386979, 46.546471 },
                 { 2.169660, 0.215414, 12.213148, 100.506783, 0.001211 },
                 -41.165253 },
      { "Er",    { 28.174887, 82.493271, 14.624002, 2.802756, 17.018515 },
                 { 2.120995, 0.000640, 11.915256, 114.529938, 0.207519 },
                 -77.135223 },
      { "Tm",    { 28.925894, 76.173798, 14.904704, 2.814812, 16.998117 },
                 { 2.046203, 0.000656, 11.465375, 111.411980, 0.199376 },
                 -70.839813 },
      { "Yb",    { 29.676760, 65.624069, 15.160854, 2.830288, 16.997850 },
                 { 1.977630, 0.000720, 11.044622, 108.139153, 0.192110 },
                 -60.313812 },
      { "Lu",    { 30.122866, 15.099346, 56.314899, 3.540980, 16.943729 },
                 { 1.883090, 10.342764, 0.000780, 89.559250, 0.183849 },
                 -51.049416 },
      { "Hf",    { 30.617033, 15.145351, 54.933548, 4.096253, 16.896156 },
                 { 1.795613, 9.934469, 0.000739, 76.189705, 0.175914 },
                 -49.719837 },
      { "Ta",    { 31.066359, 15.341823, 49.278297, 4.577665, 16.828321 },
                 { 1.708732, 9.618455, 0.000760, 66.346199, 0.168002 },
                 -44.119026 },
      { "W",     { 31.507900, 15.682498, 37.960129, 4.885509, 16.792112 },
                 { 1.629485, 9.446448, 0.000898, 59.980675, 0.160798 },
                 -32.864574 },
      { "Re",    { 31.888456, 16.117104, 42.390297, 5.211669, 16.767591 },
                 { 1.549238, 9.233474, 0.000689, 54.516373, 0.152815 },
                 -37.412682 },
      { "Os",    { 32.210297, 16.678440, 48.559906, 5.455839, 16.735533 },
                 { 1.473531, 9.049695, 0.000519, 50.210201, 0.145771 },
                 -43.677956 },
      { "Ir",    { 32.004436, 1.975454, 17.070105, 15.939454, 5.990003 },
                 { 1.353767, 81.014175, 0.128093, 7.661196, 26.659403 },
                 4.018893 },
      { "Pt",    { 31.273891, 18.445440, 17.063745, 5.555933, 1.575270 },
                 { 1.316992, 8.797154, 0.124741, 40.177994, 1.316997 },
                 4.050394 },
      { "Au",    { 16.777390, 19.317156, 32.979683, 5.595453, 10.576854 },
                 { 0.122737, 8.621570, 1.256902, 38.008820, 0.000601 },
                 -6.279078 },
      { "Hg",    { 16.839890, 20.023823, 28.428564, 5.881564, 4.714706 },
                 { 0.115905, 8.256927, 1.195250, 39.247227, 1.195250 },
                 4.076478 },
      { "Tl",    { 16.630795, 19.386616, 32.808571, 1.747191, 6.356862 },
                 { 0.110704, 7.181401, 1.119730, 90.660263, 26.014978 },
                 4.066939 },
      { "Pb",    { 16.419567, 32.738590, 6.530247, 2.342742, 19.916475 },
                 { 0.105499, 1.055049, 25.025890, 80.906593, 6.664449 },
                 4.049824 },
      { "Bi",    { 16.282274, 32.725136, 6.678302, 2.694750, 20.576559 },
                 { 0.101180, 1.002287, 25.714146, 77.057549, 6.291882 },
                 4.040914 },
      { "Po",    { 16.289164, 32.807171, 21.095163, 2.505901, 7.254589 },
                 { 0.098121, 0.966265, 6.046622, 76.598068, 28.096128 },
                 4.046556 },
      { "At",    { 16.011461, 32.615547, 8.113899, 2.884082, 21.377867 },
                 { 0.092639, 0.904416, 26.543257, 68.372963, 5.499512 },
                 3.995684 },
      { "Rn",    { 16.070229, 32.641106, 21.489658, 2.299218, 9.480184 },
                 { 0.090437, 0.876409, 5.239687, 69.188477, 27.632641 },
                 4.020977 },
      { "Fr",    { 16.007385, 32.663830, 21.594351, 1.598497, 11.121192 },
                 { 0.087031, 0.840187, 4.954467, 199.805801, 26.905106 },
                 4.003472 },
      { "Ra",    { 32.563690, 21.396671, 11.298093, 2.834688, 15.914965 },
                 { 0.801980, 4.590666, 22.758972, 160.404388, 0.083544 },
                 3.981773 },
      { "Ac",    { 15.914053, 32.535042, 21.553976, 11.433394, 3.612409 },
                 { 0.080511, 0.770669, 4.352206, 21.381622, 130.500748 },
                 3.939212 },
      { "Th",    { 15.784024, 32.454899, 21.849222, 4.239077, 11.736191 },
                 { 0.077067, 0.735137, 4.097976, 109.464111, 20.512138 },
                 3.922533 },
      { "Pa",    { 32.740208, 21.973675, 12.957398, 3.683832, 15.744058 },
                 { 0.709545, 4.050881, 19.231543, 117.255005, 0.074040 },
                 3.886066 },
      { "U",     { 15.679275, 32.824306, 13.660459, 3.687261, 22.279434 },
                 { 0.071206, 0.681177, 18.236156, 112.500038, 3.930325 },
                 3.854444 },
      { "Np",    { 32.999901, 22.638077, 14.219973, 3.672950, 15.683245 },
                 { 0.657086, 3.854918, 17.435474, 109.464485, 0.068033 },
                 3.769391 },
      { "Pu",    { 33.281178, 23.148544, 15.153755, 3.031492, 15.704215 },
                 { 0.634999, 3.856168, 16.849735, 121.292038, 0.064857 },
                 3.664200 },
      { "Am",    { 33.435162, 23.657259, 15.576339, 3.027023, 15.746100 },
                 { 0.612785, 3.792942, 16.195778, 117.757004, 0.061755 },
                 3.541160 },
      { "Cm",    { 15.804837, 33.480801, 24.150198, 3.655563, 15.499866 },
                 { 0.058619, 0.590160, 3.674720, 100.736191, 15.408296 },
                 3.390840 },
      { "Bk",    { 15.889072, 33.625286, 24.710381, 3.707139, 15.839268 },
                 { 0.055503, 0.569571, 3.615472, 97.694786, 14.754303 },
                 3.213169 },
      { "Cf",    { 33.794075, 25.467693, 16.048487, 3.657525, 16.008982 },
                 { 0.550447, 3.581973, 14.357388, 96.064972, 0.052450 },
                 3.005326 },
      { "H1-",   { 0.702260, 0.763666, 0.248678, 0.261323, 0.023017 },
                 { 23.945604, 74.897919, 6.773289, 233.583450, 1.337531 },
                 0.000425 },
      { "Li1+",  { 0.432724, 0.549257, 0.376575, -0.336481, 0.976060 },
                 { 0.260367, 1.042836, 7.885294, 0.260368, 3.042539 },
                 0.001764 },
      { "Be2+",  { 3.055430, -2.372617, 1.044914, 0.544233, 0.381737 },
                 { 0.001226, 0.001227, 1.542106, 0.456279, 4.047479 },
                 -0.653773 },
      { "Cval",  { 1.258489, 0.728215, 1.119856, 2.168133, 0.705239 },
                 { 10.683769, 0.208177, 0.836097, 24.603704, 58.954273 },
                 0.019722 },
      { "O1-",   { 3.106934, 3.235142, 1.148886, 0.783981, 0.676953 },
                 { 19.868080, 6.960252, 0.170043, 65.693512, 0.630757 },
                 0.046136 },
      { "O2-",   { 3.990247, 2.300563, 0.607200, 1.907882, 1.167080 },
                 { 16.639956, 5.636819, 0.108493, 47.299709, 0.379984 },
                 0.025429 },
      { "F1-",   { 0.457649, 3.841561, 1.432771, 0.801876, 3.395041 },
                 { 0.917243, 5.507803, 0.164955, 51.076206, 15.821679 },
                 0.069525 },
      { "Na1+",  { 3.148690, 4.073989, 0.767888, 0.995612, 0.968249 },
                 { 2.594987, 6.046925, 0.070139, 14.122657, 0.217037 },
                 0.045300 },
      { "Mg2+",  { 3.062918, 4.135106, 0.853742, 1.036792, 0.852520 },
                 { 2.015803, 4.417941, 0.065307, 9.669710, 0.187818 },
                 0.058851 },
      { "Al3+",  { 4.132015, 0.912049, 1.102425, 0.614876, 3.219136 },
                 { 3.528641, 7.378344, 0.133708, 0.039065, 1.644728 },
                 0.019397 },
      { "Sival", { 2.879033, 3.072960, 1.515981, 1.390030, 4.995051 },
                 { 1.239713, 38.706276, 0.081481, 93.616333, 2.770293 },
                 0.146030 },
                 /* was "Siva" */
      { "Si4+",  { 3.676722, 3.828496, 1.258033, 0.419024, 0.720421 },
                 { 1.446851, 3.013144, 0.064397, 0.206254, 5.970222 },
                 0.097266 },
      { "Cl1-",  { 1.061802, 7.139886, 6.524271, 2.355626, 35.829403 },
                 { 0.144727, 1.171795, 19.467655, 60.320301, 0.000436 },
                 -34.916603 },
      { "K1+",   { -17.609339, 1.494873, 7.150305, 10.899569, 15.808228 },
                 { 18.840979, 0.053453, 0.812940, 22.264105, 14.351593 },
                 0.257164 },
      { "Ca2+",  { 8.501441, 12.880483, 9.765095, 7.156669, 0.711160 },
                 { 10.525848, -0.004033, 0.010692, 0.684443, 27.231771 },
                 -21.013187 },
      { "Sc3+",  { 7.104348, 1.511488, -53.669773, 38.404816, 24.532240 },
                 { 0.601957, 0.033386, 12.572138, 10.859736, 14.125230 },
                 0.118642 },
      { "Ti2+",  { 7.040119, 1.496285, 9.657304, 0.006534, 1.649561 },
                 { 0.537072, 0.031914, 8.009958, 201.800293, 24.039482 },
                 0.150362 },
      { "Ti3+",  { 36.587933, 7.230255, -9.086077, 2.084594, 17.294008 },
                 { 0.000681, 0.522262, 5.262317, 15.881716, 6.149805 },
                 -35.111282 },
      { "Ti4+",  { 45.355537, 7.092900, 7.483858, -43.498817, 1.678915 },
                 { 9.252186, 0.523046, 13.082852, 10.193876, 0.023064 },
                 -0.110628 },
      { "V2+",   { 7.754356, 2.064100, 2.576998, 2.011404, 7.126177 },
                 { 7.066315, 0.014993, 7.066308, 22.055786, 0.467568 },
                 -0.533379 },
      { "V3+",   { 9.958480, 1.596350, 1.483442, -10.846044, 17.332867 },
                 { 6.763041, 0.056895, 17.750029, 0.328826, 0.388013 },
                 0.474921 },
      { "V5+",   { 15.575018, 8.448095, 1.612040, -9.721855, 1.534029 },
                 { 0.682708, 5.566640, 10.527077, 0.907961, 0.066667 },
                 0.552676 },
      { "Cr2+",  { 10.598877, 1.565858, 2.728280, 0.098064, 6.959321 },
                 { 6.151846, 0.023519, 17.432816, 54.002388, 0.426301 },
                 0.049870 },
      { "Cr3+",  { 7.989310, 1.765079, 2.627125, 1.829380, 6.980908 },
                 { 6.068867, 0.018342, 6.068887, 16.309284, 0.420864 },
                 -0.192123 },
      { "Mn2+",  { 11.287712, 26.042414, 3.058096, 0.090258, 7.088306 },
                 { 5.506225, 0.000774, 16.158575, 54.766354, 0.375580 },
                 -24.566132 },
      { "Mn3+",  { 6.926972, 2.081342, 11.128379, 2.375107, -0.419287 },
                 { 0.378315, 0.015054, 5.379957, 14.429586, 0.004939 },
                 -0.093713 },
      { "Mn4+",  { 12.409131, 7.466993, 1.809947, -12.138477, 10.780248 },
                 { 0.300400, 0.112814, 12.520756, 0.168653, 5.173237 },
                 0.672146 },
      { "Fe2+",  { 11.776765, 11.165097, 3.533495, 0.165345, 7.036932 },
                 { 4.912232, 0.001748, 14.166556, 42.381958, 0.341324 },
                 -9.676919 },
      { "Fe3+",  { 9.721638, 63.403847, 2.141347, 2.629274, 7.033846 },
                 { 4.869297, 0.000293, 4.867602, 13.539076, 0.338520 },
                 -61.930725 },
      { "Co2+",  { 6.993840, 26.285812, 12.254289, 0.246114, 4.017407 },
                 { 0.310779, 0.000684, 4.400528, 35.741447, 12.536393 },
                 -24.796852 },
      { "Co3+",  { 6.861739, 2.678570, 12.281889, 3.501741, -0.179384 },
                 { 0.309794, 0.008142, 4.331703, 11.914167, 11.914167 },
                 -1.147345 },
      { "Ni2+",  { 12.519017, 37.832058, 4.387257, 0.661552, 6.949072 },
                 { 3.933053, 0.000442, 10.449184, 23.860998, 0.283723 },
                 -36.344471 },
      { "Ni3+",  { 13.579366, 1.902844, 12.859268, 3.811005, -6.838595 },
                 { 0.313140, 0.012621, 3.906407, 10.894311, 0.344379 },
                 -0.317618 },
      { "Cu1+",  { 12.960763, 16.342150, 1.110102, 5.520682, 6.915452 },
                 { 3.576010, 0.000975, 29.523218, 10.114283, 0.261326 },
                 -14.849320 },
      { "Cu2+",  { 11.895569, 16.344978, 5.799817, 1.048804, 6.789088 },
                 { 3.378519, 0.000924, 8.133653, 20.526524, 0.254741 },
                 -14.878383 },
      { "Zn2+",  { 13.340772, 10.428857, 5.544489, 0.762295, 6.869172 },
                 { 3.215913, 0.001413, 8.542680, 21.891756, 0.239215 },
                 -8.945248 },
      { "Ga3+",  { 13.123875, 35.288189, 6.126979, 0.611551, 6.724807 },
                 { 2.809960, 0.000323, 6.831534, 16.784311, 0.212002 },
                 -33.875122 },
      { "Ge4+",  { 6.876636, 6.779091, 9.969591, 3.135857, 0.152389 },
                 { 2.025174, 0.176650, 3.573822, 7.685848, 16.677574 },
                 1.086542 },
      { "Br1-",  { 17.714310, 6.466926, 6.947385, 4.402674, -0.697279 },
                 { 2.122554, 19.050768, 0.152708, 58.690361, 58.690372 },
                 1.152674 },
      { "Rb1+",  { 17.684320, 7.761588, 6.680874, 2.668883, 0.070974 },
                 { 1.710209, 14.919863, 0.128542, 31.654478, 0.128543 },
                 1.133263 },
      { "Sr2+",  { 17.694973, 1.275762, 6.154252, 9.234786, 0.515995 },
                 { 1.550888, 30.133041, 0.118774, 13.821799, 0.118774 },
                 1.125309 },
      { "Y3+",   { 46.660366, 10.369686, 4.623042, -62.170834, 17.471146 },
                 { -0.019971, 13.180257, 0.176398, -0.016727, 1.467348 },
                 19.023842 },
      { "Zr4+",  { 6.802956, 17.699253, 10.650647, -0.248108, 0.250338 },
                 { 0.096228, 1.296127, 11.240715, -0.219259, -0.219021 },
                 0.827902 },
      { "Nb3+",  { 17.714323, 1.675213, 7.483963, 8.322464, 11.143573 },
                 { 1.172419, 30.102791, 0.080255, -0.002983, 10.456687 },
                 -8.339573 },
      { "Nb5+",  { 17.580206, 7.633277, 10.793497, 0.180884, 67.837921 },
                 { 1.165852, 0.078558, 9.507652, 31.621656, -0.000438 },
                 -68.024780 },
      { "Mo3+",  { 7.447050, 17.778122, 11.886068, 1.997905, 1.789626 },
                 { 0.072000, 1.073145, 9.834720, 28.221746, -0.011674 },
                 -1.898764 },
      { "Mo5+",  { 7.929879, 17.667669, 11.515987, 0.500402, 77.444084 },
                 { 0.068856, 1.068064, 9.046229, 26.558945, -0.000473 },
                 -78.056595 },
      { "Mo6+",  { 34.757683, 9.653037, 6.584769, -18.628115, 2.490594 },
                 { 1.301770, 7.123843, 0.094097, 1.617443, 12.335434 },
                 1.141916 },
      { "Ru3+",  { 17.894758, 13.579529, 10.729251, 2.474095, 48.227997 },
                 { 0.902827, 8.740579, 0.045125, 24.764954, -0.001699 },
                 -51.905243 },
      { "Ru4+",  { 17.845776, 13.455084, 10.229087, 1.653524, 14.059795 },
                 { 0.901070, 8.482392, 0.045972, 23.015272, -0.004889 },
                 -17.241762 },
      { "Rh3+",  { 17.758621, 14.569813, 5.298320, 2.533579, 0.879753 },
                 { 0.841779, 8.319533, 0.069050, 23.709131, 0.069050 },
                 0.960843 },
      { "Rh4+",  { 17.716188, 14.446654, 5.185801, 1.703448, 0.989992 },
                 { 0.840572, 8.100647, 0.068995, 22.357307, 0.068995 },
                 0.959941 },
      { "Pd2+",  { 6.122282, 15.651012, 3.513508, 9.060790, 8.771199 },
                 { 0.062424, 8.018296, 24.784275, 0.776457, 0.776457 },
                 0.879336 },
      { "Pd4+",  { 6.152421, -96.069023, 31.622141, 81.578255, 17.801403 },
                 { 0.063951, 11.090354, 13.466152, 9.758302, 0.783014 },
                 0.915874 },
      { "Ag1+",  { 6.091192, 4.019526, 16.948174, 4.258638, 13.889437 },
                 { 0.056305, 0.719340, 7.758938, 27.368349, 0.719340 },
                 0.785127 },
      { "Ag2+",  { 6.401808, 48.699802, 4.799859, -32.332523, 16.356710 },
                 { 0.068167, 0.942270, 20.639496, 1.100365, 6.883131 },
                 1.068247 },
      { "Cd2+",  { 6.093711, 43.909691, 17.041306, -39.675117, 17.958918 },
                 { 0.050624, 8.654143, 15.621396, 11.082067, 0.667591 },
                 0.664795 },
      { "In3+",  { 6.206277, 18.497746, 3.078131, 10.524613, 7.401234 },
                 { 0.041357, 6.605563, 18.792250, 0.608082, 0.608082 },
                 0.293677 },
      { "Sn2+",  { 6.353672, 4.770377, 14.672025, 4.235959, 18.002131 },
                 { 0.034720, 6.167891, 6.167879, 29.006456, 0.561774 },
                 -0.042519 },
      { "Sn4+",  { 15.445732, 6.420892, 4.562980, 1.713385, 18.033537 },
                 { 6.280898, 0.033144, 6.280899, 17.983601, 0.557980 },
                 -0.172219 },
      { "Sb3+",  { 10.189171, 57.461918, 19.356573, 4.862206, -45.394096 },
                 { 0.089485, 0.375256, 5.357987, 22.153736, 0.297768 },
                 1.516108 },
      { "Sb5+",  { 17.920622, 6.647932, 12.724075, 1.555545, 7.600591 },
                 { 0.522315, 0.029487, 5.718210, 16.433775, 5.718204 },
                 -0.445371 },
      { "I1-",   { 20.010330, 17.835524, 8.104130, 2.231118, 9.158548 },
                 { 4.565931, 0.444266, 32.430672, 95.149040, 0.014906 },
                 -3.341004 },
      { "Cs1+",  { 19.939056, 24.967621, 10.375884, 0.454243, 17.660248 },
                 { 3.770511, 0.004040, 25.311275, 76.537766, 0.384730 },
                 -19.394306 },
      { "Ba2+",  { 19.750200, 17.513683, 10.884892, 0.321585, 65.149834 },
                 { 3.430748, 0.361590, 21.358307, 70.309402, 0.001418 },
                 -59.618172 },
      { "La3+",  { 19.688887, 17.345703, 11.356296, 0.099418, 82.358124 },
                 { 3.146211, 0.339586, 18.753832, 90.345459, 0.001072 },
                 -76.846909 },
      { "Ce3+",  { 26.593231, 85.866432, -6.677695, 12.111847, 17.401903 },
                 { 3.280381, 0.001012, 4.313575, 17.868504, 0.326962 },
                 -80.313423 },
      { "Ce4+",  { 17.457533, 25.659941, 11.691037, 19.695251, -16.994749 },
                 { 0.311812, -0.003793, 16.568687, 2.886395, -0.008931 },
                 -3.515096 },
      { "Pr3+",  { 20.879841, 36.035797, 12.135341, 0.283103, 17.167803 },
                 { 2.870897, 0.002364, 16.615236, 53.909359, 0.306993 },
                 -30.500784 },
      { "Pr4+",  { 17.496082, 21.538509, 20.403114, 12.062211, -7.492043 },
                 { 0.294457, -0.002742, 2.772886, 15.804613, -0.013556 },
                 -9.016722 },
      { "Nd3+",  { 17.120077, 56.038139, 21.468307, 10.000671, 2.905866 },
                 { 0.291295, 0.001421, 2.743681, 14.581367, 22.485098 },
                 -50.541992 },
      { "Pm3+",  { 22.221066, 17.068142, 12.805423, 0.435687, 52.238770 },
                 { 2.635767, 0.277039, 14.927315, 45.768017, 0.001455 },
                 -46.767181 },
      { "Sm3+",  { 15.618565, 19.538092, 13.398946, -4.358811, 24.490461 },
                 { 0.006001, 0.306379, 14.979594, 0.748825, 2.454492 },
                 -9.714854 },
      { "Eu2+",  { 23.899035, 31.657497, 12.955752, 1.700576, 16.992199 },
                 { 2.467332, 0.002230, 13.625002, 35.089481, 0.253136 },
                 -26.204315 },
      { "Eu3+",  { 17.758327, 33.498665, 24.067188, 13.436883, -9.019134 },
                 { 0.244474, -0.003901, 2.487526, 14.568011, -0.015628 },
                 -19.768026 },
      { "Gd3+",  { 24.344999, 16.945311, 13.866931, 0.481674, 93.506378 },
                 { 2.333971, 0.239215, 12.982995, 43.876347, 0.000673 },
                 -88.147179 },
      { "Tb3+",  { 24.878252, 16.856016, 13.663937, 1.279671, 39.271294 },
                 { 2.223301, 0.227290, 11.812528, 29.910065, 0.001527 },
                 -33.950317 },
      { "Dy3+",  { 16.864344, 90.383461, 13.675473, 1.687078, 25.540651 },
                 { 0.216275, 0.000593, 11.121207, 26.250975, 2.135930 },
                 -85.150650 },
      { "Ho3+",  { 16.837524, 63.221336, 13.703766, 2.061602, 26.202621 },
                 { 0.206873, 0.000796, 10.500283, 24.031883, 2.055060 },
                 -58.026505 },
      { "Er3+",  { 16.810127, 22.681061, 13.864114, 2.294506, 26.864477 },
                 { 0.198293, 0.002126, 9.973341, 22.836388, 1.979442 },
                 -17.513460 },
      { "Tm3+",  { 16.787500, 15.350905, 14.182357, 2.299111, 27.573771 },
                 { 0.190852, 0.003036, 9.602934, 22.526880, 1.912862 },
                 -10.192087 },
      { "Yb2+",  { 28.443794, 16.849527, 14.165081, 3.445311, 28.308853 },
                 { 1.863896, 0.183811, 9.225469, 23.691355, 0.001463 },
                 -23.214935 },
      { "Yb3+",  { 28.191629, 16.828087, 14.167848, 2.744962, 23.171774 },
                 { 1.842889, 0.182788, 9.045957, 20.799847, 0.001759 },
                 -18.103676 },
      { "Lu3+",  { 28.828693, 16.823227, 14.247617, 3.079559, 25.647667 },
                 { 1.776641, 0.175560, 8.575531, 19.693701, 0.001453 },
                 -20.626528 },
      { "Hf4+",  { 29.267378, 16.792543, 14.785310, 2.184128, 23.791996 },
                 { 1.697911, 0.168313, 8.190025, 18.277578, 0.001431 },
                 -18.820383 },
      { "Ta5+",  { 29.539469, 16.741854, 15.182070, 1.642916, 16.437447 },
                 { 1.612934, 0.160460, 7.654408, 17.070732, 0.001858 },
                 -11.542459 },
      { "W6+",   { 29.729357, 17.247808, 15.184488, 1.154652, 0.739335 },
                 { 1.501648, 0.140803, 6.880573, 14.299601, 14.299618 },
                 3.945157 },
      { "Os4+",  { 17.113485, 15.792370, 23.342392, 4.090271, 7.671292 },
                 { 0.131850, 7.288542, 1.389307, 19.629425, 1.389307 },
                 3.988390 },
      { "Ir3+",  { 31.537575, 16.363338, 15.597141, 5.051404, 1.436935 },
                 { 1.334144, 7.451918, 0.127514, 21.705648, 0.127515 },
                 4.009459 },
      { "Ir4+",  { 30.391249, 16.146996, 17.019068, 4.458904, 0.975372 },
                 { 1.328519, 7.181766, 0.127337, 19.060146, 1.328519 },
                 4.006865 },
      { "Pt2+",  { 31.986849, 17.249048, 15.269374, 5.760234, 1.694079 },
                 { 1.281143, 7.625512, 0.123571, 24.190826, 0.123571 },
                 4.032512 },
      { "Pt4+",  { 41.932713, 16.339224, 17.653894, 6.012420, -12.036877 },
                 { 1.111409, 6.466086, 0.128917, 16.954155, 0.778721 },
                 4.094551 },
      { "Au1+",  { 32.124306, 16.716476, 16.814100, 7.311565, 0.993064 },
                 { 1.216073, 7.165378, 0.118715, 20.442486, 53.095985 },
                 4.040792 },
      { "Au3+",  { 31.704271, 17.545767, 16.819551, 5.522640, 0.361725 },
                 { 1.215561, 7.220506, 0.118812, 20.050970, 1.215562 },
                 4.042679 },
      { "Hg1+",  { 28.866837, 19.277540, 16.776051, 6.281459, 3.710289 },
                 { 1.173967, 7.583842, 0.115351, 29.055994, 1.173968 },
                 4.068430 },
      { "Hg2+",  { 32.411079, 18.690371, 16.711773, 9.974835, -3.847611 },
                 { 1.162980, 7.329806, 0.114518, 22.009489, 22.009493 },
                 4.052869 },
      { "Tl1+",  { 32.295044, 16.570049, 17.991013, 1.535355, 7.554591 },
                 { 1.101544, 0.110020, 6.528559, 52.495068, 20.338634 },
                 4.054030 },
      { "Tl3+",  { 32.525639, 19.139185, 17.100321, 5.891115, 12.599463 },
                 { 1.094966, 6.900992, 0.103667, 18.489614, -0.001401 },
                 -9.256075 },
      { "Pb2+",  { 27.392647, 16.496822, 19.984501, 6.813923, 5.233910 },
                 { 1.058874, 0.106305, 6.708123, 24.395554, 1.058874 },
                 4.065623 },
      { "Pb4+",  { 32.505657, 20.014240, 14.645661, 5.029499, 1.760138 },
                 { 1.047035, 6.670321, 0.105279, 16.525040, 0.105279 },
                 4.044678 },
      { "Bi3+",  { 32.461437, 19.438683, 16.302486, 7.322662, 0.431704 },
                 { 0.997930, 6.038867, 0.101338, 18.371586, 46.361046 },
                 4.043703 },
      { "Bi5+",  { 16.734028, 20.580494, 9.452623, 61.155834, -34.041023 },
                 { 0.105076, 4.773282, 11.762162, 1.211775, 1.619408 },
                 4.113663 },
      { "Ra2+",  { 4.986228, 32.474945, 21.947443, 11.800013, 10.807292 },
                 { 0.082597, 0.791468, 4.608034, 24.792431, 0.082597 },
                 3.956572 },
      { "Ac3+",  { 15.584983, 32.022125, 21.456327, 0.757593, 12.341252 },
                 { 0.077438, 0.739963, 4.040735, 47.525002, 19.406845 },
                 3.838984 },
      { "Th4+",  { 15.515445, 32.090691, 13.996399, 12.918157, 7.635514 },
                 { 0.074499, 0.711663, 3.871044, 18.596891, 3.871044 },
                 3.831122 },
      { "U3+",   { 15.360309, 32.395657, 21.961290, 1.325894, 14.251453 },
                 { 0.067815, 0.654643, 3.643409, 39.604965, 16.330570 },
                 3.706622 },
      { "U4+",   { 15.355091, 32.235306, 0.557745, 14.396367, 21.751173 },
                 { 0.067789, 0.652613, 42.354237, 15.908239, 3.553231 },
                 3.705863 },
      { "U6+",   { 15.333844, 31.770849, 21.274414, 13.872636, 0.048519 },
                 { 0.067644, 0.646384, 3.317894, 14.650250, 75.339699 },
                 3.700591 },
      { "Np3+",  { 15.378152, 32.572132, 22.206125, 1.413295, 14.828381 },
                 { 0.064613, 0.631420, 3.561936, 37.875511, 15.546129 },
                 3.603370 },
      { "Np4+",  { 15.373926, 32.423019, 21.969994, 0.662078, 14.969350 },
                 { 0.064597, 0.629658, 3.476389, 39.438942, 15.135764 },
                 3.603039 },
      { "Np6+",  { 15.359986, 31.992825, 21.412458, 0.066574, 14.568174 },
                 { 0.064528, 0.624505, 3.253441, 67.658318, 13.980832 },
                 3.600942 },
      { "Pu3+",  { 15.356004, 32.769127, 22.680210, 1.351055, 15.416232 },
                 { 0.060590, 0.604663, 3.491509, 37.260635, 14.981921 },
                 3.428895 },
      { "Pu4+",  { 15.416219, 32.610569, 22.256662, 0.719495, 15.518152 },
                 { 0.061456, 0.607938, 3.411848, 37.628792, 14.464360 },
                 3.480408 },
      { "Pu6+",  { 15.436506, 32.289719, 14.726737, 15.012391, 7.024677 },
                 { 0.061815, 0.606541, 3.245363, 13.616438, 3.245364 },
                 3.502325 },
      { 0,       { 0., 0., 0., 0., 0. },
                 { 0., 0., 0., 0., 0. },
                 0. }
// END_COMPILED_IN_REFERENCE_DATA
    };

  } // namespace <anonymous>

00664   wk1995::wk1995(std::string const& label, bool exact)
  :
    base<5>(wk1995_raw_table, "WK1995", label, exact)
  {}

00669   wk1995_iterator::wk1995_iterator()
  :
    current_("H", true)
  {}

  wk1995
00675   wk1995_iterator::next()
  {
    wk1995 result = current_;
    current_.next_entry();
    return result;
  }

}}} // namespace cctbx::eltbx::xray_scattering

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