#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:09:08 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1201 $
#$URL: svn://crystallography.net/testcod/cif/1/00/00/1000018.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1000018
loop_
_publ_author_name
'Williams, P. Andrew'
'Hughes, Colan E.'
'Martin, Jean'
'Courvoisier, Emilie'
'Buanz, Asma B. M.'
'Gaisford, Simon'
'Harris, Kenneth D. M.'
_publ_section_title
;
 Understanding the Solid-State Hydration Behavior of a Common Amino Acid:
 Identification, Structural Characterization, and Hydration/Dehydration
 Processes of New Hydrate Phases of l-Lysine
;
_journal_issue                   17
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              9385
_journal_page_last               9392
_journal_paper_doi               10.1021/acs.jpcc.5b12420
_journal_volume                  120
_journal_year                    2016
_chemical_formula_sum            'C12 H29.99 N4 O5'
_chemical_formula_weight         310.39
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2 1'
_audit_creation_date             2016-01-18T14:37
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2016-01-18T14:37  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 101.078(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.53090(27)
_cell_length_b                   5.21728(17)
_cell_length_c                   17.6011(8)
_cell_volume                     858.91(6)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      294
_diffrn_radiation_polarisn_ratio 0.55
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2016-01-18T14:37|LYSDP2||
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01707
_pd_meas_2theta_range_max        69.98489
_pd_meas_2theta_range_min        4.0
_pd_meas_number_of_points        3867
_pd_phase_name                   'L-Lysine hemihydrate'
_pd_proc_2theta_range_inc        0.01707
_pd_proc_2theta_range_max        69.98575
_pd_proc_2theta_range_min        4.00086
_pd_proc_info_datetime           2016-01-18T14:37:42
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    1797.31     2:   -1991.15     3:    786.150     4:   -224.043    
      5:    116.991     6:   -132.952     7:    167.022     8:   -193.461    
      9:    190.479    10:   -120.123    11:    17.6307    12:    75.5890    
     13:   -108.775    14:    67.2565    15:   -7.10830    16:   -9.06808    
     17:    4.37880    18:   -6.83940    19:    3.54888    20:    23.3796    
     21:   -41.6083    22:    29.2813    23:   -9.49371    24:   -9.88824    
     25:    22.6872    26:   -22.7304    27:    12.9605    28:   -4.17760    
     29:   -2.28639    30:    1.45563    31:    7.45211    32:   -9.36789    
     33:    1.43817    34:    3.81944    35:   -2.33699    36:   -3.77004    
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   57.284 #2(GV)   =   26.894 #3(GW)   =    0.355
 #4(GP)   =    0.000 #5(LX)   =    1.837 #6(LY)   =    0.638
 #7(S/L)  =   0.0190 #8(H/L)  =   0.0192
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.163 #15(L22) =    0.800 #16(L33) =    0.081
 #17(L12) =   -0.095 #18(L13) =    0.074 #19(L23) =   -0.067
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0235
_pd_proc_ls_prof_wR_expected     0.0245
_pd_proc_ls_prof_wR_factor       0.0313
_pd_proc_number_of_points        3867
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.37
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_restraints     105
_refine_ls_R_Fsqd_factor         0.24366
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.345
_reflns_d_resolution_low         17.273
_reflns_limit_h_max              7
_reflns_limit_h_min              0
_reflns_limit_k_max              3
_reflns_limit_k_min              0
_reflns_limit_l_max              13
_reflns_limit_l_min              -13
_reflns_number_total             217
_cod_data_source_file            jp5b12420_si_002.cif
_cod_data_source_block           LYSDP2_publ
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               1000018
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
101 +x+1/2,+y+1/2,+z
102 -x+1/2,+y+1/2,-z
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
O O1 0.0000(8) -0.4292(15) 0.10989(35) 1.0 Uiso 0.0728(22) 4
O O2 -0.0807(7) -0.0434(16) 0.07078(31) 1.0 Uiso 0.0728(22) 4
C C3 0.0174(6) -0.2003(11) 0.09814(23) 1.0 Uiso 0.0728(22) 4
N N4 0.1709(10) 0.1546(16) 0.0788(5) 1.0 Uiso 0.0728(22) 4
H H5 0.1656(26) 0.1265(24) 0.0203(5) 1.0 Uiso 0.0874(27) 4
H H6 0.2636(13) 0.2525(23) 0.1017(11) 1.0 Uiso 0.0874(27) 4
H H7 0.0835(14) 0.2602(18) 0.0873(11) 1.0 Uiso 0.0874(27) 4
H H8 0.2421(6) -0.2289(18) 0.0947(4) 1.0 Uiso 0.0874(27) 4
C C9 0.1708(6) -0.0971(13) 0.11792(24) 1.0 Uiso 0.0728(22) 4
H H10 0.2292(23) -0.2618(22) 0.2317(5) 1.0 Uiso 0.0874(27) 4
H H11 0.3309(7) 0.016(4) 0.2158(6) 1.0 Uiso 0.0874(27) 4
C C12 0.2234(9) -0.0701(17) 0.20533(25) 1.0 Uiso 0.0728(22) 4
H H13 0.0198(9) 0.009(5) 0.2353(11) 1.0 Uiso 0.0874(27) 4
H H14 0.1184(28) 0.2879(29) 0.2168(8) 1.0 Uiso 0.0874(27) 4
C C15 0.1266(10) 0.0968(19) 0.24363(26) 1.0 Uiso 0.0728(22) 4
C C16 0.1855(14) 0.1230(23) 0.32943(26) 1.0 Uiso 0.0728(22) 4
H H17 0.2945(8) 0.202(6) 0.3378(11) 1.0 Uiso 0.0874(27) 4
H H18 0.189(4) -0.0671(33) 0.3567(8) 1.0 Uiso 0.0874(27) 4
C C19 0.0937(7) 0.2989(19) 0.36707(24) 1.0 Uiso 0.0728(22) 4
H H20 0.0904(25) 0.4891(27) 0.3399(6) 1.0 Uiso 0.0874(27) 4
H H21 -0.0152(8) 0.220(5) 0.3588(8) 1.0 Uiso 0.0874(27) 4
N N22 0.1511(7) 0.3234(15) 0.44984(15) 1.0 Uiso 0.0728(22) 4
H H23 0.2090(14) 0.1660(20) 0.4688(4) 0.333 Uiso 0.0874(27) 4
H H24 0.2143(16) 0.4800(20) 0.4594(5) 0.333 Uiso 0.0874(27) 4
H H25 0.0697(10) 0.341(4) 0.4786(4) 0.333 Uiso 0.0874(27) 4
H H26 0.2588(6) 0.331(7) 0.4587(4) 0.333 Uiso 0.0874(27) 4
H H27 0.1208(34) 0.1709(23) 0.4780(8) 0.333 Uiso 0.0874(27) 4
H H28 0.1134(28) 0.4855(25) 0.4699(4) 0.333 Uiso 0.0874(27) 4
O O29 0.0 0.8207(24) 0.5 1.0 Uiso 0.094(9) 2
H H30 0.039(4) 0.6687(28) 0.4806(22) 0.333 Uiso 0.113(11) 4
H H31 -0.10213(24) 0.810(9) 0.4813(8) 0.333 Uiso 0.113(11) 4
H H32 0.032(4) 0.9625(23) 0.4724(24) 0.333 Uiso 0.113(11) 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
O 10.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
C 24.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500
51.6512 0.21560 International_Tables_Vol_C
N 8.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630
0.58260 -11.529 International_Tables_Vol_C
H 59.988 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081
57.7997 0.00304 International_Tables_Vol_C
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
? ? ? ? ? ? ? ?
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
? ? ? ? ? ?
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
5478.0 0.0001825 5483.22900 5483.22900
5370.0 0.0001862 5466.56055 5466.56055
5308.0 0.0001884 5451.50342 5451.50342
5532.0 0.0001808 5437.87939 5437.87939
5445.0 0.0001837 5425.52637 5425.52637
5462.0 0.0001831 5414.29248 5414.29248
5309.0 0.0001884 5404.03418 5404.03418
5464.0 0.0001830 5394.62061 5394.62061
5327.0 0.0001877 5385.92822 5385.92822
5288.0 0.0001891 5377.84424 5377.84424
5287.0 0.0001891 5370.26465 5370.26465
5319.0 0.0001880 5363.09082 5363.09082
5279.0 0.0001894 5356.23486 5356.23486
5271.0 0.0001897 5349.61328 5349.61328
5149.0 0.0001942 5343.15234 5343.15234
5371.0 0.0001862 5336.78320 5336.78320
5369.0 0.0001863 5330.44189 5330.44189
5233.0 0.0001911 5324.07275 5324.07275
5075.0 0.0001970 5317.62256 5317.62256
5376.0 0.0001860 5311.04590 5311.04590
5199.0 0.0001923 5304.30078 5304.30078
5175.0 0.0001932 5297.34961 5297.34961
5257.0 0.0001902 5290.15869 5290.15869
5271.0 0.0001897 5282.70068 5282.70068
5248.0 0.0001905 5274.94775 5274.94775
5341.0 0.0001872 5266.87939 5266.87939
5257.0 0.0001902 5258.47559 5258.47559
5238.0 0.0001909 5249.72021 5249.72021
5252.0 0.0001904 5240.60254 5240.60254
5306.0 0.0001885 5231.10986 5231.10986
5226.0 0.0001914 5221.23486 5221.23486
5159.0 0.0001938 5210.97168 5210.97168
5327.0 0.0001877 5200.31641 5200.31641
5314.0 0.0001882 5189.26807 5282.48486
5343.0 0.0001872 5177.82568 5284.65137
5541.0 0.0001805 5165.99072 5294.14258
5353.0 0.0001868 5153.76855 5319.82178
5436.0 0.0001840 5141.16016 5369.42725
5575.0 0.0001794 5128.17480 5438.28125
5599.0 0.0001786 5114.81641 5532.43750
5746.0 0.0001740 5101.09619 5628.19336
5596.0 0.0001787 5087.01953 5743.98535
5724.0 0.0001747 5072.59863 5860.44092
6058.0 0.0001651 5057.84326 5989.81201
5957.0 0.0001679 5042.76367 6136.34375
6012.0 0.0001663 5027.37402 6277.25586
6299.0 0.0001588 5011.68359 6458.85303
6574.0 0.0001521 4995.70703 6625.13330
6590.0 0.0001517 4979.45605 6831.72559
6859.0 0.0001458 4962.94580 7053.79883
6982.0 0.0001432 4946.18896 7281.12256
7394.0 0.0001352 4929.19922 7567.09619
7652.0 0.0001307 4911.99023 7861.54004
7986.0 0.0001252 4894.57715 8193.19629
8499.0 0.0001177 4876.97363 8594.34668
8845.0 0.0001131 4859.19287 9039.05273
9392.0 0.0001065 4841.25049 9550.20703
10249.0 0.0000976 4823.15967 10168.05957
10884.0 0.0000919 4804.93506 10916.57910
11712.0 0.0000854 4786.59033 11837.64648
12968.0 0.0000771 4768.13867 13014.47363
14429.0 0.0000693 4749.59473 14602.58301
17040.0 0.0000587 4730.97119 16906.21680
20192.0 0.0000495 4712.28125 20208.77344
23451.0 0.0000426 4693.53857 23361.69922
21661.0 0.0000462 4674.75342 21861.47461
14955.0 0.0000669 4655.94189 14663.51758
9081.0 0.0001101 4637.11377 9178.06445
6580.0 0.0001520 4618.28223 6828.81006
5919.0 0.0001689 4599.45654 5948.62451
5445.0 0.0001837 4580.65088 5529.18555
5364.0 0.0001864 4561.87354 5272.75049
5259.0 0.0001902 4543.13867 5097.46436
5055.0 0.0001978 4524.45117 4969.73535
4862.0 0.0002057 4505.82568 4871.98047
4663.0 0.0002145 4487.27100 4794.08057
4549.0 0.0002198 4468.79492 4729.88867
4502.0 0.0002221 4450.40674 4675.49268
4405.0 0.0002270 4432.11475 4628.30273
4462.0 0.0002241 4413.92871 4586.55225
4457.0 0.0002244 4395.85449 4548.99561
4446.0 0.0002249 4377.90137 4514.73975
4356.0 0.0002296 4360.07568 4483.12744
4316.0 0.0002317 4342.38281 4453.66455
4226.0 0.0002366 4324.83203 4425.98242
4270.0 0.0002342 4307.42773 4399.79150
4276.0 0.0002339 4290.17627 4374.86719
4250.0 0.0002353 4273.08252 4273.08252
4185.0 0.0002389 4256.15234 4256.15234
4279.0 0.0002337 4239.39014 4239.39014
4099.0 0.0002440 4222.80078 4222.80078
4142.0 0.0002414 4206.38916 4206.38916
4203.0 0.0002379 4190.15625 4190.15625
4171.0 0.0002398 4174.10840 4174.10840
4052.0 0.0002468 4158.24854 4158.24854
4086.0 0.0002447 4142.57910 4142.57910
4092.0 0.0002444 4127.10352 4127.10352
4165.0 0.0002401 4111.82275 4111.82275
4047.0 0.0002471 4096.74072 4096.74072
4041.0 0.0002475 4081.85864 4081.85864
4089.0 0.0002446 4067.17871 4067.17871
4012.0 0.0002493 4052.70142 4052.70142
3993.0 0.0002504 4038.42798 4038.42798
4116.0 0.0002430 4024.36060 4024.36060
3895.0 0.0002567 4010.49878 4010.49878
4007.0 0.0002496 3996.84375 3996.84375
3955.0 0.0002528 3983.39526 3983.39526
3909.0 0.0002558 3970.15381 3970.15381
3861.0 0.0002590 3957.11987 3957.11987
3939.0 0.0002539 3944.29175 3944.29175
3911.0 0.0002557 3931.67114 3931.67114
3764.0 0.0002657 3919.25439 3919.25439
3911.0 0.0002557 3907.04321 3907.04321
3853.0 0.0002595 3895.03589 3895.03589
3912.0 0.0002556 3883.23071 3883.23071
3842.0 0.0002603 3871.62793 3871.62793
3866.0 0.0002587 3860.22437 3860.22437
3816.0 0.0002621 3849.01929 3849.01929
3879.0 0.0002578 3838.01172 3838.01172
3865.0 0.0002587 3827.19897 3827.19897
3801.0 0.0002631 3816.57983 3816.57983
3777.0 0.0002648 3806.15063 3806.15063
3857.0 0.0002593 3795.91113 3795.91113
3756.0 0.0002662 3785.85864 3785.85864
3808.0 0.0002626 3775.99048 3775.99048
3760.0 0.0002660 3766.30420 3766.30420
3830.0 0.0002611 3756.79834 3756.79834
3823.0 0.0002616 3747.46924 3747.46924
3674.0 0.0002722 3738.31494 3738.31494
3750.0 0.0002667 3729.33252 3729.33252
3761.0 0.0002659 3720.51855 3720.51855
3683.0 0.0002715 3711.87158 3711.87158
3630.0 0.0002755 3703.38794 3703.38794
3701.0 0.0002702 3695.06543 3695.06543
3747.0 0.0002669 3686.90015 3686.90015
3677.0 0.0002720 3678.88940 3678.88940
3725.0 0.0002685 3671.03101 3671.03101
3708.0 0.0002697 3663.32129 3663.32129
3655.0 0.0002736 3655.75757 3655.75757
3617.0 0.0002765 3648.33594 3648.33594
3603.0 0.0002775 3641.05396 3641.05396
3653.0 0.0002737 3633.90894 3633.90894
3646.0 0.0002743 3626.89722 3626.89722
3716.0 0.0002691 3620.01563 3620.01563
3569.0 0.0002802 3613.26172 3613.26172
3703.0 0.0002701 3606.63184 3606.63184
3544.0 0.0002822 3600.12305 3600.12305
3711.0 0.0002695 3593.73242 3593.73242
3667.0 0.0002727 3587.45679 3587.45679
3555.0 0.0002813 3581.29272 3581.29272
3698.0 0.0002704 3575.23730 3575.23730
3519.0 0.0002842 3569.28833 3569.28833
3701.0 0.0002702 3563.44189 3563.44189
3652.0 0.0002738 3557.69531 3557.69531
3598.0 0.0002779 3552.04590 3552.04590
3527.0 0.0002835 3546.49023 3546.49023
3475.0 0.0002878 3541.02563 3541.02563
3443.0 0.0002904 3535.64990 3535.64990
3502.0 0.0002856 3530.35889 3530.35889
3511.0 0.0002848 3525.15063 3525.15063
3481.0 0.0002873 3520.02271 3520.02271
3483.0 0.0002871 3514.97168 3514.97168
3536.0 0.0002828 3509.99561 3509.99561
3552.0 0.0002815 3505.09082 3505.09082
3539.0 0.0002826 3500.25562 3500.25562
3433.0 0.0002913 3495.48755 3495.48755
3541.0 0.0002824 3490.78345 3490.78345
3446.0 0.0002902 3486.14136 3486.14136
3505.0 0.0002853 3481.55835 3481.55835
3531.0 0.0002832 3477.03247 3477.03247
3413.0 0.0002930 3472.56177 3472.56177
3455.0 0.0002894 3468.14331 3468.14331
3410.0 0.0002933 3463.77539 3463.77539
3463.0 0.0002888 3459.45532 3459.45532
3570.0 0.0002801 3455.18164 3455.18164
3448.0 0.0002900 3450.95215 3450.95215
3499.0 0.0002858 3446.76465 3446.76465
3481.0 0.0002873 3442.61670 3442.61670
3459.0 0.0002891 3438.50732 3438.50732
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5333.0 0.0001875 2130.70923 5120.82959
6446.0 0.0001551 2128.21509 6130.59326
7315.0 0.0001367 2125.71582 7213.46777
8292.0 0.0001206 2123.20972 8178.58398
8798.0 0.0001137 2120.69873 8694.15527
8492.0 0.0001178 2118.18115 8461.87305
7355.0 0.0001360 2115.65771 7423.77393
5974.0 0.0001674 2113.12964 5993.45508
4731.0 0.0002114 2110.59521 4692.83008
3776.0 0.0002648 2108.05664 3746.74487
3122.0 0.0003203 2105.51172 3149.91846
2812.0 0.000356 2102.96265 2806.92847
2593.0 0.000386 2100.40796 2614.90137
2546.0 0.000393 2097.84912 2501.72192
2356.0 0.000424 2095.28467 2427.92798
2388.0 0.000419 2092.71655 2375.24780
2295.0 0.000436 2090.14331 2335.48145
2299.0 0.000435 2087.56641 2304.66113
2353.0 0.000425 2084.98462 2280.49023
2238.0 0.000447 2082.39990 2261.53320
2231.0 0.000448 2079.81030 2246.82373
2213.0 0.000452 2077.21777 2235.75830
2279.0 0.000439 2074.62085 2227.98389
2313.0 0.000432 2072.02124 2223.39307
2214.0 0.000452 2069.41846 2222.12183
2352.0 0.000425 2066.81152 2224.65430
2338.0 0.000428 2064.20288 2232.08228
2400.0 0.000417 2061.59058 2246.67334
2359.0 0.000424 2058.97681 2272.82446
2488.0 0.000402 2056.35938 2318.42969
2551.0 0.000392 2053.74097 2396.22632
2632.0 0.000380 2051.11938 2524.72192
2792.0 0.000358 2048.49683 2725.81104
3074.0 0.0003253 2045.87183 3015.06226
3388.0 0.0002952 2043.24609 3390.10645
3879.0 0.0002578 2040.61816 3830.32153
4216.0 0.0002372 2037.98999 4253.81934
4486.0 0.0002229 2035.35999 4501.00098
4385.0 0.0002281 2032.72998 4430.39648
3980.0 0.0002513 2030.09851 4033.02539
3526.0 0.0002836 2027.46765 3499.06641
3065.0 0.0003263 2024.83569 3019.36865
2657.0 0.000376 2022.20459 2667.61060
2459.0 0.000407 2019.57312 2419.15063
2335.0 0.000428 2016.94153 2285.34155
2218.0 0.000451 2014.31165 2207.84326
2256.0 0.000443 2011.68164 2160.68677
2115.0 0.000473 2009.05347 2129.13672
2091.0 0.000478 2006.42566 2105.95776
2107.0 0.000475 2003.80017 2087.82227
2068.0 0.000484 2001.17529 2073.06519
2115.0 0.000473 1998.55322 2060.75024
2041.0 0.000490 1995.93225 2050.25659
2017.0 0.000496 1993.31445 2041.16321
2088.0 0.000479 1990.69836 2033.15576
1968.0 0.000508 1988.08533 2026.01038
1973.0 0.000507 1985.47461 2019.55188
2046.0 0.000489 1982.86743 2013.65259
1913.0 0.000523 1980.26331 2008.31836
1898.0 0.000527 1977.66284 2003.26050
1992.0 0.000502 1975.06580 1998.51782
1968.0 0.000508 1972.47278 1994.04163
2003.0 0.000499 1969.88416 1989.79150
1911.0 0.000523 1967.29871 1985.73291
1901.0 0.000526 1964.71912 1981.84302
2017.0 0.000496 1962.14331 1978.09631
1904.0 0.000525 1959.57336 1974.47766
1892.0 0.000529 1957.00769 1970.96936
1987.0 0.000503 1954.44824 1967.56104
1925.0 0.000519 1951.89343 1964.24048
1961.0 0.000510 1949.34521 1961.00098
1933.0 0.000517 1946.80237 1957.83374
1899.0 0.000527 1944.26648 1954.73474
1892.0 0.000529 1941.73608 1951.69788
1875.0 0.000533 1939.21313 1948.72205
1874.0 0.000534 1936.69617 1945.80383
1913.0 0.000523 1934.18713 1942.94519
1919.0 0.000521 1931.68433 1940.14673
1892.0 0.000529 1929.18994 1937.41760
1858.0 0.000538 1926.70227 1927.74988
1848.0 0.000541 1924.22327 1925.55518
1861.0 0.000537 1921.75208 1923.55334
1836.0 0.000545 1919.28833 1921.91577
1840.0 0.000543 1916.83374 1920.93091
1948.0 0.000513 1914.38745 1921.01440
1881.0 0.000532 1911.95044 1922.62122
1902.0 0.000526 1909.52197 1926.04541
1985.0 0.000504 1907.10303 1931.04199
1838.0 0.000544 1904.69324 1936.09326
1971.0 0.000507 1902.29333 1938.48804
1927.0 0.000519 1899.90295 1935.17993
1856.0 0.000539 1897.52271 1925.91919
1881.0 0.000532 1895.15247 1914.48511
1864.0 0.000536 1892.79297 1904.44763
1835.0 0.000545 1890.44312 1897.01855
1835.0 0.000545 1888.10498 1891.86914
1815.0 0.000551 1885.77673 1888.14624
1837.0 0.000544 1883.46033 1886.02332
1813.0 0.000552 1881.15442 1883.37830
1770.0 0.000565 1878.86060 1880.88342
1906.0 0.000525 1876.57776 1878.47253
1835.0 0.000545 1874.30627 1876.12012
1842.0 0.000543 1872.04761 1873.81506
1816.0 0.000551 1869.80029 1871.54822
1821.0 0.000549 1867.56592 1869.31628
1834.0 0.000545 1865.34314 1867.11499
1794.0 0.000557 1863.13367 1864.94385
1823.0 0.000549 1860.93604 1862.80029
1825.0 0.000548 1858.75195 1860.68579
1782.0 0.000561 1856.58020 1858.59912
1901.0 0.000526 1854.42212 1856.54224
1786.0 0.000560 1852.27673 1854.51538
1903.0 0.000525 1850.14539 1852.52161
1877.0 0.000533 1848.02698 1850.56177
1821.0 0.000549 1845.92285 1848.63989
1741.0 0.000574 1843.83191 1846.75879
1812.0 0.000552 1841.75549 1844.92395
1814.0 0.000551 1839.69238 1843.13989
1765.0 0.000567 1837.64429 1841.41516
1796.0 0.000557 1835.61023 1839.75806
1774.0 0.000564 1833.58997 1838.06946
1898.0 0.000527 1831.58496 1836.59314
1813.0 0.000552 1829.59412 1835.23022
1763.0 0.000567 1827.61865 1834.00757
1847.0 0.000541 1825.65735 1832.96057
1799.0 0.000556 1823.71167 1832.14111
1797.0 0.000556 1821.78040 1831.62720
1750.0 0.000571 1819.86499 1831.55261
1830.0 0.000546 1817.96423 1832.16492
1889.0 0.000529 1816.07947 1833.93604
1776.0 0.000563 1814.20947 1837.73633
1811.0 0.000552 1812.35559 1852.41895
1972.0 0.000507 1810.51672 1865.99976
1784.0 0.000561 1808.69421 1888.30566
1880.0 0.000532 1806.88672 1921.93298
2046.0 0.000489 1805.09583 1967.09692
2061.0 0.000485 1803.32019 2020.53247
2006.0 0.000499 1801.56116 2073.25342
2140.0 0.000467 1799.81763 2107.29614
2064.0 0.000484 1798.08984 2104.33130
2069.0 0.000483 1796.37903 2061.26953
2069.0 0.000483 1794.68384 1998.33716
1993.0 0.000502 1793.00549 1939.05774
1856.0 0.000539 1791.34290 1894.20264
1841.0 0.000543 1789.69714 1864.94067
1794.0 0.000557 1788.06726 1848.02722
1880.0 0.000532 1786.45435 1849.01550
1854.0 0.000539 1784.85730 1845.76978
1831.0 0.000546 1783.27734 1845.67456
1777.0 0.000563 1781.71350 1847.98792
1838.0 0.000544 1780.16638 1852.73389
1786.0 0.000560 1778.63562 1860.60547
1852.0 0.000540 1777.12170 1873.15283
1872.0 0.000534 1775.62402 1893.24475
1892.0 0.000529 1774.14319 1925.54138
1954.0 0.000512 1772.67871 1976.78479
2108.0 0.000474 1771.23120 2055.14575
2005.0 0.000499 1769.80005 2167.87720
2231.0 0.000448 1768.38525 2315.19482
2310.0 0.000433 1766.98755 2482.57959
2508.0 0.000399 1765.60608 2645.36230
2791.0 0.000358 1764.24158 2773.91064
2740.0 0.000365 1762.89319 2814.71704
2729.0 0.000366 1761.56177 2723.97583
2646.0 0.000378 1760.24646 2541.20605
2402.0 0.000416 1758.94812 2344.04468
2236.0 0.000447 1757.66565 2178.38257
2050.0 0.000488 1756.40027 2057.59009
1984.0 0.000504 1755.15076 1978.12573
1771.0 0.000565 1753.91797 1930.01624
1871.0 0.000534 1752.70117 1902.71863
1994.0 0.000502 1751.50098 1888.27368
1931.0 0.000518 1750.31677 1881.81738
1872.0 0.000534 1749.14905 1880.93164
1788.0 0.000559 1747.99707 1884.74353
1851.0 0.000540 1746.86157 1893.39722
1888.0 0.000530 1745.74182 1908.02441
1929.0 0.000518 1744.63782 1931.24402
1993.0 0.000502 1743.55005 1968.19666
2077.0 0.000481 1742.47791 2028.11292
2267.0 0.000441 1741.42163 2124.72925
2392.0 0.000418 1740.38098 2280.08032
2614.0 0.000383 1739.35596 2515.95728
2892.0 0.0003458 1738.34644 2847.87695
3227.0 0.0003099 1737.35242 3262.96265
3715.0 0.0002692 1736.37366 3706.84326
4181.0 0.0002392 1735.41016 4106.79590
4436.0 0.0002254 1734.46191 4358.66357
4492.0 0.0002226 1733.52881 4304.58154
4011.0 0.0002493 1732.61047 3922.34521
3478.0 0.0002875 1731.70740 3397.83228
3041.0 0.0003288 1730.81873 2907.23218
2583.0 0.000387 1729.94495 2525.77979
2346.0 0.000426 1729.08545 2255.07495
2206.0 0.000453 1728.24084 2087.78467
1959.0 0.000510 1727.41040 1986.09204
1998.0 0.000501 1726.59399 1923.86682
1980.0 0.000505 1725.79199 1883.63440
1940.0 0.000515 1725.00391 1855.47974
1911.0 0.000523 1724.22986 1834.39014
1872.0 0.000534 1723.46948 1817.83716
1899.0 0.000527 1722.72278 1804.47705
1930.0 0.000518 1721.98950 1793.48071
1834.0 0.000545 1721.26990 1784.30151
1812.0 0.000552 1720.56323 1776.53833
1836.0 0.000545 1719.87000 1769.90320
1883.0 0.000531 1719.18945 1764.17126
1873.0 0.000534 1718.52209 1759.17725
1841.0 0.000543 1717.86719 1754.78687
1906.0 0.000525 1717.22510 1750.89978
1886.0 0.000530 1716.59521 1747.43213
1893.0 0.000528 1715.97791 1744.32031
1813.0 0.000552 1715.37256 1741.50964
1859.0 0.000538 1714.77942 1738.95862
1882.0 0.000531 1714.19788 1736.63000
1778.0 0.000562 1713.62817 1734.49548
1792.0 0.000558 1713.07007 1732.53064
1834.0 0.000545 1712.52319 1730.71399
1888.0 0.000530 1711.98779 1729.02917
1731.0 0.000578 1711.46338 1727.46045
1800.0 0.000556 1710.94995 1725.99585
1881.0 0.000532 1710.44727 1724.62390
1795.0 0.000557 1709.95532 1723.33618
1849.0 0.000541 1709.47363 1722.12341
1719.0 0.000582 1709.00232 1720.97949
1750.0 0.000571 1708.54114 1719.89771
1773.0 0.000564 1708.08997 1718.87305
1756.0 0.000569 1707.64856 1717.90027
1727.0 0.000579 1707.21692 1716.97571
1762.0 0.000568 1706.79443 1706.79443
1765.0 0.000567 1706.38159 1706.38159
1789.0 0.000559 1705.97766 1705.97766
1754.0 0.000570 1705.58276 1705.58276
1740.0 0.000575 1705.19666 1705.89185
1699.0 0.000589 1704.81909 1705.54846
1754.0 0.000570 1704.45020 1705.21631
1790.0 0.000559 1704.08936 1704.89502
1741.0 0.000574 1703.73669 1704.58521
1681.0 0.000595 1703.39185 1704.28662
1722.0 0.000581 1703.05493 1703.99976
1664.0 0.000601 1702.72546 1703.72473
1746.0 0.000573 1702.40344 1703.46204
1623.0 0.000616 1702.08862 1703.21191
1712.0 0.000584 1701.78101 1702.97510
1734.0 0.000577 1701.48010 1702.75195
1729.0 0.000578 1701.18591 1702.54333
1689.0 0.000592 1700.89832 1702.35034
1711.0 0.000584 1700.61694 1702.17358
1676.0 0.000597 1700.34180 1702.01489
1681.0 0.000595 1700.07263 1701.87573
1706.0 0.000586 1699.80933 1701.75818
1691.0 0.000591 1699.55164 1701.66443
1624.0 0.000616 1699.29932 1701.59778
1600.0 0.000625 1699.05237 1701.56201
1702.0 0.000588 1698.81042 1701.56165
1623.0 0.000616 1698.57349 1701.60278
1688.0 0.000592 1698.34143 1701.69299
1659.0 0.000603 1698.11389 1701.84180
1692.0 0.000591 1697.89075 1702.06177
1692.0 0.000591 1697.67175 1702.36963
1712.0 0.000584 1697.45691 1702.78735
1663.0 0.000601 1697.24585 1703.34509
1692.0 0.000591 1697.03870 1704.08557
1690.0 0.000592 1696.83484 1705.07336
1697.0 0.000589 1696.63452 1706.41870
1698.0 0.000589 1696.43738 1708.33887
1713.0 0.000584 1696.24329 1719.00208
1729.0 0.000578 1696.05188 1724.31079
1728.0 0.000579 1695.86340 1733.40234
1717.0 0.000582 1695.67737 1749.26477
1764.0 0.000567 1695.49365 1776.05164
1792.0 0.000558 1695.31201 1817.93091
1866.0 0.000536 1695.13257 1875.89966
1858.0 0.000538 1694.95496 1944.54041
1883.0 0.000531 1694.77905 2009.73376
1877.0 0.000533 1694.60461 2046.94434
1952.0 0.000512 1694.43164 2034.58826
1910.0 0.000524 1694.25977 1975.69812
1894.0 0.000528 1694.08911 1899.58972
1797.0 0.000556 1693.91931 1832.68250
1718.0 0.000582 1693.75024 1785.36475
1776.0 0.000563 1693.58179 1758.36511
1717.0 0.000582 1693.41370 1743.57410
1658.0 0.000603 1693.24597 1736.65674
1703.0 0.000587 1693.07837 1733.77881
1699.0 0.000589 1692.91077 1732.95581
1702.0 0.000588 1692.74292 1733.33826
1742.0 0.000574 1692.57483 1734.61218
1651.0 0.000606 1692.40637 1736.68481
1713.0 0.000584 1692.23718 1739.55920
1733.0 0.000577 1692.06738 1743.30420
1758.0 0.000569 1691.89661 1748.04321
1704.0 0.000587 1691.72498 1753.96802
1730.0 0.000578 1691.55188 1761.37329
1828.0 0.000547 1691.37781 1770.70642
1707.0 0.000586 1691.20215 1782.71362
1757.0 0.000569 1691.02515 1798.66870
1769.0 0.000565 1690.84631 1820.82874
1793.0 0.000558 1690.66577 1853.01172
1847.0 0.000541 1690.48315 1901.33899
1934.0 0.000517 1690.29858 1974.56128
1959.0 0.000510 1690.11182 2083.68213
2144.0 0.000466 1689.92273 2239.41821
2370.0 0.000422 1689.73132 2446.89185
2645.0 0.000378 1689.53735 2695.88574
2904.0 0.0003444 1689.34058 2954.55542
3100.0 0.0003226 1689.14124 3175.20972
3119.0 0.0003206 1688.93896 3296.17358
3137.0 0.0003188 1688.73376 3251.47168
2884.0 0.0003467 1688.52539 3044.74805
2670.0 0.000375 1688.31384 2763.44385
2259.0 0.000443 1688.09912 2491.88940
2164.0 0.000462 1687.88086 2270.48560
1958.0 0.000511 1687.65930 2108.98242
1932.0 0.000518 1687.43396 2002.00891
1955.0 0.000512 1687.20496 1939.13672
1814.0 0.000551 1686.97217 1910.42224
1855.0 0.000539 1686.73572 1908.49780
1840.0 0.000543 1686.49512 1930.93018
2062.0 0.000485 1686.25061 1972.94824
2006.0 0.000499 1686.00183 2026.35669
2148.0 0.000466 1685.74902 2078.16553
2115.0 0.000473 1685.49182 2112.57080
2067.0 0.000484 1685.23022 2110.28711
2010.0 0.000498 1684.96423 2061.07056
2036.0 0.000491 1684.69385 1985.52966
1912.0 0.000523 1684.41882 1909.43958
1862.0 0.000537 1684.13916 1846.65039
1798.0 0.000556 1683.85461 1800.70459
1722.0 0.000581 1683.56543 1771.14453
1757.0 0.000569 1683.27148 1751.38782
1753.0 0.000570 1682.97253 1738.76062
1754.0 0.000570 1682.66870 1730.32239
1661.0 0.000602 1682.35974 1724.25635
1729.0 0.000578 1682.04578 1719.58789
1782.0 0.000561 1681.72668 1715.81628
1696.0 0.000590 1681.40259 1712.68152
1658.0 0.000603 1681.07312 1710.02930
1706.0 0.000586 1680.73840 1707.76245
1692.0 0.000591 1680.39844 1705.81030
1701.0 0.000588 1680.05310 1704.12219
1633.0 0.000612 1679.70239 1702.66003
1667.0 0.000600 1679.34631 1701.39648
1661.0 0.000602 1678.98474 1700.31152
1724.0 0.000580 1678.61780 1699.39209
1647.0 0.000607 1678.24524 1698.63013
1664.0 0.000601 1677.86719 1698.02405
1639.0 0.000610 1677.48352 1697.57727
1621.0 0.000617 1677.09424 1697.29932
1679.0 0.000596 1676.69958 1689.81641
1638.0 0.000611 1676.29907 1690.27869
1677.0 0.000596 1675.89319 1690.97852
1597.0 0.000626 1675.48145 1691.99329
1641.0 0.000609 1675.06421 1693.45251
1652.0 0.000605 1674.64111 1695.58167
1693.0 0.000591 1674.21240 1698.75684
1768.0 0.000566 1673.77795 1703.58020
1697.0 0.000589 1673.33801 1710.91772
1588.0 0.000630 1672.89221 1721.88330
1736.0 0.000576 1672.44092 1737.63440
1683.0 0.000594 1671.98364 1758.95020
1765.0 0.000567 1671.52087 1785.38135
1826.0 0.000548 1671.05225 1814.36023
1758.0 0.000569 1670.57825 1841.11072
1733.0 0.000577 1670.09839 1858.05286
1833.0 0.000546 1669.61292 1860.76123
1815.0 0.000551 1669.12170 1845.02283
1822.0 0.000549 1668.62500 1817.44299
1799.0 0.000556 1668.12268 1787.82727
1708.0 0.000585 1667.61475 1762.32837
1769.0 0.000565 1667.10120 1743.27478
1681.0 0.000595 1666.58215 1730.86719
1747.0 0.000572 1666.05762 1724.47961
1714.0 0.000583 1665.52747 1723.46436
1812.0 0.000552 1664.99194 1727.78394
1794.0 0.000557 1664.45105 1738.42822
1756.0 0.000569 1663.90466 1757.57715
1793.0 0.000558 1663.35291 1788.43506
1828.0 0.000547 1662.79578 1834.39197
1932.0 0.000518 1662.23328 1897.37561
2064.0 0.000484 1661.66577 1974.83472
2161.0 0.000463 1661.09277 2057.12671
2250.0 0.000444 1660.51477 2128.31445
2279.0 0.000439 1659.93140 2168.23657
2305.0 0.000434 1659.34302 2156.19385
2207.0 0.000453 1658.74951 2092.03979
2100.0 0.000476 1658.15100 2002.16089
1874.0 0.000534 1657.54773 1913.58704
1837.0 0.000544 1656.93921 1839.96729
1784.0 0.000561 1656.32605 1784.90674
1801.0 0.000555 1655.70789 1746.67395
1659.0 0.000603 1655.08521 1721.40955
1625.0 0.000615 1654.45752 1704.97217
1699.0 0.000589 1653.82544 1694.04468
1717.0 0.000582 1653.18848 1686.37585
1689.0 0.000592 1652.54712 1680.63623
1671.0 0.000598 1651.90112 1676.08826
1655.0 0.000604 1651.25098 1672.33740
1586.0 0.000631 1650.59619 1669.15564
1697.0 0.000589 1649.93726 1666.40417
1692.0 0.000591 1649.27380 1663.98572
1568.0 0.000638 1648.60645 1661.83228
1645.0 0.000608 1647.93481 1659.89075
1645.0 0.000608 1647.25891 1658.12097
1619.0 0.000618 1646.57922 1656.49292
1613.0 0.000620 1645.89563 1654.98132
1638.0 0.000611 1645.20825 1652.63782
1577.0 0.000634 1644.51685 1651.34705
1684.0 0.000594 1643.82190 1650.12219
1586.0 0.000631 1643.12305 1648.95239
1583.0 0.000632 1642.42078 1647.82996
1550.0 0.000645 1641.71484 1646.74731
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448.0 . . .
