data_NA2B10D102_295KRELAX_publ

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2014-12-10T11:28

_pd_phase_name                         Na2B10D10_P21c_1.cif
_cell_length_a                         6.7137(7)
_cell_length_b                         13.1237(14)
_cell_length_c                         11.9402(12)
_cell_angle_alpha                      90.0
_cell_angle_beta                       120.524(6)
_cell_angle_gamma                      90.0
_cell_volume                           906.24(16)
_cell_measurement_temperature          295
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         "P 21/c"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y+1/2,-z+1/2 
      -1 -x,-y,-z 
      -2 +x,-y+1/2,+z+1/2 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
B B1 0.5645(8) 0.51213(24)  0.7598(4)    1.0   Uiso   0.02867(33)   4
B B2 0.4351(7) 0.59674(29)  0.6188(4)    1.0   Uiso   0.02867(33)   4
B B3 0.5424(8) 0.71899(25)  0.6937(4)    1.0   Uiso   0.02867(33)   4
B B4 0.7352(6) 0.60955(32)  0.7442(5)    1.0   Uiso   0.02867(33)   4
B B5 0.2902(6) 0.66746(30)  0.6890(5)    1.0   Uiso   0.02867(33)   4
B B6 0.4195(7) 0.58217(29)  0.8303(4)    1.0   Uiso   0.02867(33)   4
B B7 0.7227(6) 0.59956(32)  0.8933(4)    1.0   Uiso   0.02867(33)   4
B B8 0.5296(7) 0.70893(27)  0.8435(4)    1.0   Uiso   0.02867(33)   4
B B9 0.2769(7) 0.53882(31)  0.6754(4)    1.0   Uiso   0.02867(33)   4
B B10 0.7815(7) 0.71124(33)  0.8433(5)    1.0   Uiso   0.02867(33)   4
D D11 0.6272(11) 0.42530(25)  0.7685(6)    1.0  Uiso   0.0489(7)     4
D D12 0.3862(10) 0.5842(4)   0.5077(4)    1.0  Uiso   0.0489(7)    4
D D13 0.5355(11) 0.79053(30)  0.6291(5)   1.0  Uiso   0.0489(7)    4
D D14 0.8853(8) 0.5846(4)  0.7232(6)    1.0  Uiso   0.0489(7)     4
D D15 0.1177(7) 0.7190(4)  0.6428(6)    1.0  Uiso   0.0489(7)     4
D D16 0.3552(10) 0.5522(4)  0.9015(5)    1.0   Uiso   0.0489(7)    4
D D17 0.8558(8) 0.5656(4)  0.9998(4)    1.0  Uiso   0.0489(7)     4
D D18 0.4825(10) 0.76891(33) 0.9026(6)   1.0  Uiso   0.0489(7)     4
D D19 0.1145(9) 0.4820(4)  0.6267(5)    1.0  Uiso   0.0489(7)     4
D D20 0.9435(8) 0.7683(4)  0.8928(6)    1.0  Uiso   0.0489(7)     4
Na Na21 0.217(6) 0.3990(32) 0.484(4)    1.0  Uiso   0.094(7)      4
Na Na22 0.224(6) 0.6248(32) -0.012(4)    1.0  Uiso   0.094(7)      4
 
_chemical_formula_sum                  "B5 D5 Na"
_chemical_formula_weight               87.11
_cell_formula_units_Z                  8

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  B1        B2             1.827(5)  .      1_555  N
  B1        B4             1.790(6)  .      1_555  N
  B1        B6             1.826(7)  .      1_555  N
  B1        B7             1.808(5)  .      1_555  N
  B1        B9             1.700(7)  .      1_555  N
  B1        D11            1.201(5)  .      1_555  N
  B1        Na21               3.27(4)  .      1_555  N
  B1        Na22               3.16(4)  .     -1_666  N
  B2        B1             1.827(5)  .      1_555  N
  B2        B3             1.800(6)  .      1_555  N
  B2        B4             1.807(7)  .      1_555  N
  B2        B5             1.828(7)  .      1_555  N
  B2        B9             1.700(7)  .      1_555  N
  B2        D12            1.205(6)  .      1_555  N
  B2        Na21               3.01(4)  .      1_555  N
  B2        Na21               3.14(4)  .     -1_666  N
  B3        B4             1.819(6)  .      1_555  N
  B3        B5             1.797(7)  .      1_555  N
  B3        B8             1.839(7)  .      1_555  N
  B3        B10            1.693(7)  .      1_555  N
  B3        D13             1.201(6)  .      1_555  N
  B3        Na22               3.08(4)  .     -2_565  N
  B4        B7             1.829(7)  .      1_555  N
  B4        B10            1.703(6)  .      1_555  N
  B4        D14            1.201(8)  .      1_555  N
  B4        Na21               2.90(4)  .     -1_666  N
  B4        Na22               3.09(4)  .      1_656  N
  B5        B6             1.835(6)  .      1_555  N
  B5        B8             1.808(7)  .      1_555  N
  B5        B9             1.695(6)  .      1_555  N
  B5        D15            1.206(7)  .      1_555  N
  B5        Na21             3.077(33)  .     -1_566  N
  B6        B7             1.791(7)  .      1_555  N
  B6        B8             1.794(6)  .      1_555  N
  B6        B9             1.692(6)  .      1_555  N
  B6        D16             1.199(8)  .      1_555  N
  B6        Na22               2.85(4)  .      1_556  N
  B7        B8             1.819(6)  .      1_555  N
  B7        B10            1.702(6)  .      1_555  N
  B7        D17            1.209(6)  .      1_555  N
  B7        Na22             2.972(32)  .      1_656  N
  B7        Na22               3.21(4)  .     -1_666  N
  B8        B10            1.693(8)  .      1_555  N
  B8        D18             1.202(7)  .      1_555  N
  B8        Na21               3.13(4)  .      2_656  N
  B9        D19            1.199(8)  .      1_555  N
  B9        Na21               2.80(4)  .      1_555  N
  B9        Na21             2.977(34)  .     -1_566  N
  B10       D20            1.200(8)  .      1_555  N
  B10       Na21               3.21(4)  .      2_656  N
  B10       Na22             2.806(33)  .      1_656  N
  Na21      B1                 3.27(4)  .      1_555  N
  Na21      B2                 3.01(4)  .      1_555  N
  Na21      B2                 3.14(4)  .     -1_666  N
  Na21      B4                 2.90(4)  .     -1_666  N
  Na21      B5               3.077(33)  .     -1_566  N
  Na21      B8                 3.13(4)  .      2_646  N
  Na21      B9                 2.80(4)  .      1_555  N
  Na21      B9               2.977(34)  .     -1_566  N
  Na21      B10                3.21(4)  .      2_646  N
  Na21      D12                2.64(4)  .      1_555  N
  Na21      D12                2.62(4)  .     -1_666  N
  Na21      D14                2.21(4)  .     -1_666  N
  Na21      D15                2.51(4)  .     -1_566  N
  Na21      D18                2.46(4)  .      2_646  N
  Na21      D19                2.40(4)  .      1_555  N
  Na21      D19                2.48(4)  .     -1_566  N
  Na21      D20                2.81(4)  .      2_646  N
  Na21      Na21               4.10(8)  .     -1_566  N
  Na22      B1                 3.16(4)  .     -1_666  N
  Na22      B3                 3.08(4)  .     -2_564  N
  Na22      B4                 3.09(4)  .      1_454  N
  Na22      B6                 2.85(4)  .      1_554  N
  Na22      B7               2.972(32)  .      1_454  N
  Na22      B7                 3.21(4)  .     -1_666  N
  Na22      B10              2.806(33)  .      1_454  N
  Na22      D11                2.63(4)  .     -1_666  N
  Na22      D13                2.21(4)  .     -2_564  N
  Na22      D14                2.85(4)  .      1_454  N
  Na22      D15                3.08(4)  .     -2_564  N
  Na22      D16                1.92(4)  .      1_554  N
  Na22      D17              2.660(33)  .      1_454  N
  Na22      D17                2.57(4)  .     -1_666  N
  Na22      D18                3.07(4)  .      1_554  N
  Na22      D20                2.49(4)  .      1_454  N

loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  B2        B1        B4               59.951(7)      1_555  .      1_555  N
  B2        B1        B6               90.201(7)      1_555  .      1_555  N
  B2        B1        B7              102.6(2)      1_555  .      1_555  N
  B2        B1        B9               57.529(5)      1_555  .      1_555  N
  B2        B1        D11             129.657(4)      1_555  .      1_555  N
  B4        B1        B6              102.014(7)      1_555  .      1_555  N
  B4        B1        B7               61.147(6)      1_555  .      1_555  N
  B4        B1        B9              112.696(7)      1_555  .      1_555  N
  B4        B1        D11             118.152(7)      1_555  .      1_555  N
  B6        B1        B7               59.067(7)      1_555  .      1_555  N
  B6        B1        B9               57.216(7)      1_555  .      1_555  N
  B6        B1        D11           133.1355(24)      1_555  .      1_555  N
  B7        B1        B9              111.959(6)      1_555  .      1_555  N
  B7        B1        D11             120.196(6)      1_555  .      1_555  N
  B9        B1        D11           119.3253(11)      1_555  .      1_555  N
  B1        B2        B3              101.6(3)      1_555  .      1_555  N
  B1        B2        B4               58.992(6)      1_555  .      1_555  N
  B1        B2        B5               90.029(7)      1_555  .      1_555  N
  B1        B2        B9               57.493(7)      1_555  .      1_555  N
  B1        B2        D12             131.885(6)      1_555  .      1_555  N
  B3        B2        B4             60.5817(29)      1_555  .      1_555  N
  B3        B2        B5               59.422(5)      1_555  .      1_555  N
  B3        B2        B9              111.988(5)      1_555  .      1_555  N
  B3        B2        D12           119.0302(28)      1_555  .      1_555  N
  B4        B2        B5              101.6(3)      1_555  .      1_555  N
  B4        B2        B9              111.8(3)      1_555  .      1_555  N
  B4        B2        D12             119.367(7)      1_555  .      1_555  N
  B5        B2        B9               57.261(7)      1_555  .      1_555  N
  B5        B2        D12             131.583(5)      1_555  .      1_555  N
  B9        B2        D12             120.023(5)      1_555  .      1_555  N
  B2        B3        B4               59.9(2)      1_555  .      1_555  N
  B2        B3        B5             61.0607(33)      1_555  .      1_555  N
  B2        B3        B8              102.388(4)      1_555  .      1_555  N
  B2        B3        B10             113.361(4)      1_555  .      1_555  N
  B2        B3        D13             120.201(7)      1_555  .      1_555  N
  B4        B3        B5              102.4(3)      1_555  .      1_555  N
  B4        B3        B8               89.882(5)      1_555  .      1_555  N
  B4        B3        B10              57.931(4)      1_555  .      1_555  N
  B4        B3        D13             128.262(5)      1_555  .      1_555  N
  B5        B3        B8               59.614(6)      1_555  .      1_555  N
  B5        B3        B10             112.6(3)      1_555  .      1_555  N
  B5        B3        D13             123.068(5)      1_555  .      1_555  N
  B8        B3        B10              57.1(3)      1_555  .      1_555  N
  B8        B3        D13             132.459(4)      1_555  .      1_555  N
  B10       B3        D13             115.552(5)      1_555  .      1_555  N
  B1        B4        B2               61.057(6)      1_555  .      1_555  N
  B1        B4        B3              102.3(3)      1_555  .      1_555  N
  B1        B4        B7               59.904(4)      1_555  .      1_555  N
  B1        B4        B10             112.812(6)      1_555  .      1_555  N
  B1        B4        D14             118.503(6)      1_555  .      1_555  N
  B2        B4        B3               59.508(5)      1_555  .      1_555  N
  B2        B4        B7              102.5(3)      1_555  .      1_555  N
  B2        B4        B10             112.425(5)      1_555  .      1_555  N
  B2        B4        D14             120.1(5)      1_555  .      1_555  N
  B3        B4        B7               90.145(5)      1_555  .      1_555  N
  B3        B4        B10              57.312(7)      1_555  .      1_555  N
  B3        B4        D14             132.631(4)      1_555  .      1_555  N
  B7        B4        B10              57.498(5)      1_555  .      1_555  N
  B7        B4        D14             129.920(5)      1_555  .      1_555  N
  B10       B4        D14             118.9(4)      1_555  .      1_555  N
  B2        B5        B3               59.518(6)      1_555  .      1_555  N
  B2        B5        B6               89.916(7)      1_555  .      1_555  N
  B2        B5        B8              102.5(3)      1_555  .      1_555  N
  B2        B5        B9             57.6093(33)      1_555  .      1_555  N
  B2        B5        D15             133.314(6)      1_555  .      1_555  N
  B3        B5        B6              101.711(7)      1_555  .      1_555  N
  B3        B5        B8               61.343(7)      1_555  .      1_555  N
  B3        B5        B9            112.3935(29)      1_555  .      1_555  N
  B3        B5        D15             118.3(4)      1_555  .      1_555  N
  B6        B5        B8               59.026(7)      1_555  .      1_555  N
  B6        B5        B9               57.138(5)      1_555  .      1_555  N
  B6        B5        D15             131.250(4)      1_555  .      1_555  N
  B8        B5        B9            111.9777(19)      1_555  .      1_555  N
  B8        B5        D15             116.567(7)      1_555  .      1_555  N
  B9        B5        D15             121.569(5)      1_555  .      1_555  N
  B1        B6        B5               89.854(7)      1_555  .      1_555  N
  B1        B6        B7               59.945(6)      1_555  .      1_555  N
  B1        B6        B8              102.434(6)      1_555  .      1_555  N
  B1        B6        B9               57.658(7)      1_555  .      1_555  N
  B1        B6        D16             129.025(6)      1_555  .      1_555  N
  B1        B6        Na22              159.6(8)      1_555  .      1_556  N
  B5        B6        B7              102.380(6)      1_555  .      1_555  N
  B5        B6        B8               59.774(6)      1_555  .      1_555  N
  B5        B6        B9               57.267(7)      1_555  .      1_555  N
  B5        B6        D16             132.856(6)      1_555  .      1_555  N
  B5        B6        Na22              109.1(8)      1_555  .      1_556  N
  B7        B6        B8             61.0120(20)      1_555  .      1_555  N
  B7        B6        B9              113.172(6)      1_555  .      1_555  N
  B7        B6        D16             119.084(7)      1_555  .      1_555  N
  B7        B6        Na22              120.4(8)      1_555  .      1_556  N
  B8        B6        B9            112.7876(34)      1_555  .      1_555  N
  B8        B6        D16           121.5203(29)      1_555  .      1_555  N
  B8        B6        Na22               93.9(8)      1_555  .      1_556  N
  B9        B6        D16             117.184(7)      1_555  .      1_555  N
  B9        B6        Na22              126.5(8)      1_555  .      1_556  N
  D16       B6        Na22               30.9(8)      1_555  .      1_556  N
  B1        B7        B4               58.948(6)      1_555  .      1_555  N
  B1        B7        B6               60.988(5)      1_555  .      1_555  N
  B1        B7        B8              102.2(3)      1_555  .      1_555  N
  B1        B7        B10             112.0(3)      1_555  .      1_555  N
  B1        B7        D17             118.9(4)      1_555  .      1_555  N
  B4        B7        B6              101.816(7)      1_555  .      1_555  N
  B4        B7        B8               90.182(5)      1_555  .      1_555  N
  B4        B7        B10            57.5633(28)      1_555  .      1_555  N
  B4        B7        D17             132.503(6)      1_555  .      1_555  N
  B6        B7        B8               59.598(6)      1_555  .      1_555  N
  B6        B7        B10           112.2689(33)      1_555  .      1_555  N
  B6        B7        D17             118.061(6)      1_555  .      1_555  N
  B8        B7        B10              57.340(7)      1_555  .      1_555  N
  B8        B7        D17           131.1483(35)      1_555  .      1_555  N
  B10       B7        D17             120.482(5)      1_555  .      1_555  N
  B3        B8        B5               59.043(7)      1_555  .      1_555  N
  B3        B8        B6            101.6211(27)      1_555  .      1_555  N
  B3        B8        B7               89.790(5)      1_555  .      1_555  N
  B3        B8        B10              57.073(6)      1_555  .      1_555  N
  B3        B8        D18             132.879(4)      1_555  .      1_555  N
  B5        B8        B6             61.2001(30)      1_555  .      1_555  N
  B5        B8        B7              102.245(7)      1_555  .      1_555  N
  B5        B8        B10             112.0(3)      1_555  .      1_555  N
  B5        B8        D18             115.712(7)      1_555  .      1_555  N
  B6        B8        B7               59.4(2)      1_555  .      1_555  N
  B6        B8        B10           112.5499(31)      1_555  .      1_555  N
  B6        B8        D18             116.092(6)      1_555  .      1_555  N
  B7        B8        B10              57.856(5)      1_555  .      1_555  N
  B7        B8        D18             132.951(6)      1_555  .      1_555  N
  B10       B8        D18             123.379(4)      1_555  .      1_555  N
  B1        B9        B2               64.978(7)      1_555  .      1_555  N
  B1        B9        B5             99.1792(24)      1_555  .      1_555  N
  B1        B9        B6               65.127(6)      1_555  .      1_555  N
  B1        B9        D19             129.658(7)      1_555  .      1_555  N
  B1        B9        Na21               89.9(7)      1_555  .      1_555  N
  B2        B9        B5             65.1296(33)      1_555  .      1_555  N
  B2        B9        B6               99.386(7)      1_555  .      1_555  N
  B2        B9        D19             133.036(6)      1_555  .      1_555  N
  B2        B9        Na21               80.1(8)      1_555  .      1_555  N
  B5        B9        B6             65.5942(22)      1_555  .      1_555  N
  B5        B9        D19             131.073(4)      1_555  .      1_555  N
  B5        B9        Na21              135.3(8)      1_555  .      1_555  N
  B6        B9        D19             127.564(4)      1_555  .      1_555  N
  B6        B9        Na21              151.8(8)      1_555  .      1_555  N
  D19       B9        Na21               58.5(7)      1_555  .      1_555  N
  B3        B10       B4               64.756(5)      1_555  .      1_555  N
  B3        B10       B7               99.048(5)      1_555  .      1_555  N
  B3        B10       B8               65.8(3)      1_555  .      1_555  N
  B3        B10       D20             128.237(5)      1_555  .      1_555  N
  B3        B10       Na22              144.5(9)      1_555  .      1_656  N
  B4        B10       B7               64.939(7)      1_555  .      1_555  N
  B4        B10       B8               99.047(4)      1_555  .      1_555  N
  B4        B10       D20             129.096(5)      1_555  .      1_555  N
  B4        B10       Na22               82.7(9)      1_555  .      1_656  N
  B7        B10       B8             64.8038(30)      1_555  .      1_555  N
  B7        B10       D20             132.669(5)      1_555  .      1_555  N
  B7        B10       Na22               78.3(8)      1_555  .      1_656  N
  B8        B10       D20             131.807(5)      1_555  .      1_555  N
  B8        B10       Na22              137.5(8)      1_555  .      1_656  N
  D20       B10       Na22               62.5(9)      1_555  .      1_656  N
  D12       Na21      D12                62.9(9)      1_555  .     -1_666  N
  D12       Na21      D14               84.5(13)      1_555  .     -1_666  N
  D12       Na21      D15              147.2(16)      1_555  .     -1_566  N
  D12       Na21      D18              113.1(13)      1_555  .      2_646  N
  D12       Na21      D19               76.6(12)      1_555  .      1_555  N
  D12       Na21      D19               72.5(11)      1_555  .     -1_566  N
  D12       Na21      D14               76.6(12)     -1_666  .     -1_666  N
  D12       Na21      D15              131.1(17)     -1_666  .     -1_566  N
  D12       Na21      D18                60.3(8)     -1_666  .      2_646  N
  D12       Na21      D19              125.8(15)     -1_666  .      1_555  N
  D12       Na21      D19              126.0(16)     -1_666  .     -1_566  N
  D14       Na21      D15               73.3(11)     -1_666  .     -1_566  N
  D14       Na21      D18              112.7(17)     -1_666  .      2_646  N
  D14       Na21      D19              135.4(17)     -1_666  .      1_555  N
  D14       Na21      D19               70.2(10)     -1_666  .     -1_566  N
  D15       Na21      D18               97.8(14)     -1_566  .      2_646  N
  D15       Na21      D19              102.5(13)     -1_566  .      1_555  N
  D15       Na21      D19                77.4(9)     -1_566  .     -1_566  N
  D18       Na21      D19              111.9(15)      2_646  .      1_555  N
  D18       Na21      D19              173.7(18)      2_646  .     -1_566  N
  D19       Na21      D19               65.7(10)      1_555  .     -1_566  N
  B6        Na22      B10              111.8(14)      1_554  .      1_454  N
  D11       Na22      D13               63.6(8)     -1_666  .     -2_575  N
  D11       Na22      D16              116.7(16)     -1_666  .      1_554  N
  D11       Na22      D17               73.2(10)     -1_666  .      1_454  N
  D11       Na22      D17               70.7(10)     -1_666  .     -1_666  N
  D11       Na22      D20              117.9(16)     -1_666  .      1_454  N
  D13       Na22      D17              129.4(16)     -2_575  .     -1_666  N
  D16       Na22      D17              125.2(19)      1_554  .      1_454  N
  D16       Na22      D17               73.4(14)      1_554  .     -1_666  N
  D16       Na22      D20              125.2(20)      1_554  .      1_454  N
  D17       Na22      D17                59.3(8)      1_454  .     -1_666  N
  D17       Na22      D20                74.9(9)      1_454  .      1_454  N
  D17       Na22      D20              129.0(13)     -1_666  .      1_454  N

loop_ _atom_type_symbol
      _atom_type_number_in_cell
      _atom_type_scat_length_neutron
      _atom_type_scat_source
  B         40.0   0.6650
  International_Tables_Vol_C
  D         40.0   0.6671
  International_Tables_Vol_C
  Na         8.0   0.3630
  International_Tables_Vol_C

_diffrn_radiation_probe                neutron
_diffrn_ambient_temperature            295
_diffrn_radiation_wavelength           1.5398
_pd_proc_ls_prof_R_factor              0.0306
_pd_proc_ls_prof_wR_factor             0.0373
_pd_proc_ls_prof_wR_expected           0.0343
_refine_ls_R_Fsqd_factor               0.06862
_refine_ls_shift/su_max                0.05
_refine_ls_shift/su_mean               0.01
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           21
_refine_ls_goodness_of_fit_all         1.09
_refine_ls_number_restraints           0
_refine_ls_matrix_type                 full
_exptl_absorpt_correction_T_min        1.00000
_exptl_absorpt_correction_T_max        1.00000
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000
_pd_proc_ls_peak_cutoff 0.00500
_pd_proc_info_datetime                 2014-12-10T11:28:18
_pd_calc_method                        "Rietveld Refinement"
_pd_meas_2theta_range_min              3.0
_pd_meas_2theta_range_max              167.75
_pd_meas_2theta_range_inc              0.05
_pd_proc_2theta_range_min              2.965
_pd_proc_2theta_range_max              167.715
_pd_proc_2theta_range_inc              0.05
_pd_meas_number_of_points              3296
_pd_proc_number_of_points              3296
_reflns_number_total                   1950
_reflns_limit_h_min                    0
_reflns_limit_h_max                    8
_reflns_limit_k_min                    0
_reflns_limit_k_max                    16
_reflns_limit_l_min                    -15
_reflns_limit_l_max                    13
_reflns_d_resolution_high              0.786
_reflns_d_resolution_low               8.095
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
