#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:29:40 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1267 $
#$URL: svn://crystallography.net/testcod/cif/4/00/00/4000048.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_4000048
loop_
_publ_author_name
'Zhou, Yongkai'
'Adams, Stefan'
'Rao, R. Prasada'
'Edwards, Doreen D.'
'Neiman, Arkady'
'Pestereva, N.'
_publ_section_title
;
 Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6335
_journal_page_last               6345
_journal_paper_doi               10.1021/cm800466y
_journal_volume                  20
_journal_year                    2008
_chemical_formula_moiety         ' Sc2(WO4)3 '
_chemical_formula_sum            'O12 Sc2 W3'
_chemical_formula_weight         833.45
_chemical_melting_point          ' 1913K '
_chemical_name_common            ' Scandium Tungstate '
_chemical_name_systematic        ' Scandium Tungstate '
_space_group_IT_number           60
_space_group_name_Hall           '-P 2a 2n'
_space_group_name_H-M_alt        'P n c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n c a'
_audit_creation_date             2008-01-25T12:03
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2008-01-25T12:03  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.62547(5)
_cell_length_b                   13.35545(8)
_cell_length_c                   9.55038(5)
_cell_measurement_temperature    1050
_cell_volume                     1227.725(12)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.68
_diffrn_radiation_probe          x-ray
_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
2008-01-25T12:03|T11K|Zhou_Yongkai|Philips_Xpert
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017
_pd_meas_2theta_range_max        119.9874
_pd_meas_2theta_range_min        10.0144
_pd_meas_number_of_points        6470
_pd_proc_2theta_range_inc        0.017
_pd_proc_2theta_range_max        119.9874
_pd_proc_2theta_range_min        10.0144
_pd_proc_info_datetime           2008-01-25T12:30:46
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    385.012     2:   -23.9601     3:   -7.76589     4:    54.7664    
      5:   -6.93079     6:    10.8819     7:   -12.2698     8:    6.97940    
      9:    9.34731    10:   -24.7793    11:    22.1684    12:   -5.79838    
;
_pd_proc_ls_peak_cutoff          0.00250
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   0.95921  h= 0.000  k= 1.000  l= 0.000
 Prefered orientation correction range: Min=   0.93945, Max=   1.13305
;
_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)   =    6.473 #2(GV)   =   -5.347 #3(GW)   =    2.203
 #4(GP)   =    0.000 #5(LX)   =    0.727 #6(LY)   =    5.529
 #7(S/L)  =   0.0313 #8(H/L)  =   0.0250
 #9(trns) =     0.00 #10(shft)= -15.3303
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0025 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0502
_pd_proc_ls_prof_wR_expected     0.0363
_pd_proc_ls_prof_wR_factor       0.0657
_pd_proc_number_of_points        6470
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.85
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.07153
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.890
_reflns_d_resolution_low         6.678
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_total             1825
_cod_data_source_file            cm800466y_si_022.cif
_cod_data_source_block           T1050K
_cod_original_cell_volume        1227.725(14)
_cod_database_code               4000048
_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+1/2,+y+1/2,+z+1/2
3 +x,-y+1/2,+z+1/2
4 -x+1/2,-y,+z
-1 -x,-y,-z
-2 +x+1/2,-y+1/2,-z+1/2
-3 -x,+y+1/2,-z+1/2
-4 +x+1/2,+y,-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
Sc Sc1 0.4708(4) 0.38198(26) 0.2477(5) 1.0 Uiso 0.0290(12) 8
W W1 0.25 0.0 0.47111(16) 1.0 Uiso 0.03109(34) 4
W W2 0.11256(12) 0.35641(8) 0.39095(12) 1.0 Uiso 0.03109(34) 8
O O1 0.0929(14) 0.1264(10) 0.0668(14) 1.0 Uiso 0.0721(21) 8
O O2 0.1523(14) 0.0753(9) 0.3718(15) 1.0 Uiso 0.0721(21) 8
O O3 0.0053(13) 0.2655(10) 0.3138(13) 1.0 Uiso 0.0721(21) 8
O O4 0.3353(14) 0.4061(9) 0.0759(14) 1.0 Uiso 0.0721(21) 8
O O5 0.0515(13) 0.4729(10) 0.3190(14) 1.0 Uiso 0.0721(21) 8
O O6 0.2888(15) 0.3484(10) 0.3385(14) 1.0 Uiso 0.0721(21) 8
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
Sc 8.0 0.000 0.000 9.18900 9.02130 7.36790 0.57290 1.64090 136.108 1.46800
51.3531 1.33290 International_Tables_Vol_C
W 12.0 0.000 0.000 29.0818 1.72029 15.4300 9.22590 14.4327 0.32170 5.11982
57.0560 9.88750 International_Tables_Vol_C
O 48.0 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
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
1.540500 1.000 K\a~1~ 1
1.544300 0.000 K\a~2~ 2
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
O1 Sc1 O2 90.4(5) -2_666 . -2_666 N
O1 Sc1 O3 95.6(5) -2_666 . -2_666 N
O1 Sc1 O4 172.5(6) -2_666 . 1_555 N
O1 Sc1 O5 80.4(5) -2_666 . 4_565 N
O1 Sc1 O6 96.3(6) -2_666 . 1_555 N
O2 Sc1 O3 88.4(5) -2_666 . -2_666 N
O2 Sc1 O4 92.8(6) -2_666 . 1_555 N
O2 Sc1 O5 90.6(5) -2_666 . 4_565 N
O2 Sc1 O6 173.0(6) -2_666 . 1_555 N
O3 Sc1 O4 91.3(5) -2_666 . 1_555 N
O3 Sc1 O5 175.8(6) -2_666 . 4_565 N
O3 Sc1 O6 92.8(5) -2_666 . 1_555 N
O4 Sc1 O5 92.8(5) 1_555 . 4_565 N
O4 Sc1 O6 80.3(5) 1_555 . 1_555 N
O5 Sc1 O6 88.7(5) 4_565 . 1_555 N
O2 W1 O2 110.9(10) 1_555 . 4_555 N
O2 W1 O4 118.5(6) 1_555 . 2_545 N
O2 W1 O4 98.7(6) 1_555 . 3_555 N
O2 W1 O4 98.7(6) 4_555 . 2_545 N
O2 W1 O4 118.5(6) 4_555 . 3_555 N
O4 W1 O4 112.6(8) 2_545 . 3_555 N
O1 W2 O3 116.1(6) 3_555 . 1_555 N
O1 W2 O5 102.9(6) 3_555 . 1_555 N
O1 W2 O6 113.1(6) 3_555 . 1_555 N
O3 W2 O5 104.2(7) 1_555 . 1_555 N
O3 W2 O6 113.8(6) 1_555 . 1_555 N
O5 W2 O6 104.9(6) 1_555 . 1_555 N
Sc1 O1 W2 152.6(8) -2_466 . 3_554 N
Sc1 O2 W1 155.8(8) -2_555 . 1_555 N
Sc1 O3 W2 150.0(8) -2_466 . 1_555 N
Sc1 O4 W1 144.6(7) 1_555 . 2_554 N
Sc1 O5 W2 166.2(8) 4_565 . 1_555 N
Sc1 O6 W2 160.9(8) 1_555 . 1_555 N
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
Sc1 O1 2.128(14) . -2_555 N
Sc1 O2 2.163(14) . -2_555 N
Sc1 O3 2.083(14) . -2_555 N
Sc1 O4 2.121(13) . 1_555 N
Sc1 O5 2.066(13) . 4_565 N
Sc1 O6 2.005(14) . 1_555 N
W1 O2 1.672(13) . 1_555 N
W1 O2 1.672(13) . 4_555 N
W1 O4 1.802(12) . 2_545 N
W1 O4 1.802(12) . 3_555 N
W2 O1 1.706(13) . 3_555 N
W2 O3 1.755(13) . 1_555 N
W2 O5 1.799(13) . 1_555 N
W2 O6 1.772(14) . 1_555 N
O1 Sc1 2.128(14) . -2_455 N
O1 W2 1.706(13) . 3_554 N
O2 Sc1 2.163(14) . -2_455 N
O2 W1 1.672(13) . 1_555 N
O3 Sc1 2.083(14) . -2_455 N
O3 W2 1.755(13) . 1_555 N
O4 Sc1 2.121(13) . 1_555 N
O4 W1 1.802(12) . 2_554 N
O5 Sc1 2.066(13) . 4_565 N
O5 W2 1.799(13) . 1_555 N
O6 Sc1 2.005(14) . 1_555 N
O6 W2 1.772(14) . 1_555 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
311.0 0.0 644.82654 .
311.0 0.0 641.11761 .
324.0 0.0 637.43756 .
307.0 0.0 633.78595 .
287.0 0.0 630.16229 .
291.0 0.0 626.56738 .
279.0 0.0 623.00024 .
327.0 0.0 619.46094 .
307.0 0.0 615.94977 .
298.0 0.0 612.46564 .
301.0 0.0 609.00952 .
315.0 0.0 605.58051 .
309.0 0.0 602.17865 .
295.0 0.0 598.80408 .
302.0 0.0 595.45624 .
320.0 0.0 592.13525 .
295.0 0.0 588.84088 .
301.0 0.0 585.57275 .
326.0 0.0 582.33160 .
334.0 0.0 579.11652 .
315.0 0.0 575.92749 .
300.0 0.0 572.76440 .
296.0 0.0 569.62695 .
291.0 0.0 566.51550 .
313.0 0.0 563.42975 .
327.0 0.0 560.36938 .
332.0 0.0 557.33417 .
313.0 0.0 554.32416 .
301.0 0.0 551.33911 .
308.0 0.0 548.37952 .
315.0 0.0 545.44409 .
328.0 0.0 542.53363 .
335.0 0.0 539.64752 .
327.0 0.0 536.78613 .
304.0 0.0 533.94904 .
307.0 0.0 531.13593 .
314.0 0.0 528.34680 .
324.0 0.0 525.58148 .
326.0 0.0 522.84015 .
314.0 0.0 520.12262 .
296.0 0.0 517.42841 .
299.0 0.0 514.75763 .
315.0 0.0 512.10992 .
315.0 0.0 509.48569 .
333.0 0.0 506.88452 .
328.0 0.0 504.30612 .
293.0 0.0 501.75046 .
309.0 0.0 499.21729 .
314.0 0.0 496.70712 .
293.0 0.0 494.21915 .
324.0 0.0 491.75366 .
312.0 0.0 489.31003 .
337.0 0.0 486.88846 .
310.0 0.0 484.48904 .
330.0 0.0 482.11151 .
323.0 0.0 479.75571 .
334.0 0.0 477.42130 .
316.0 0.0 475.10825 .
375.0 0.0 472.81689 .
338.0 0.0 470.54681 .
312.0 0.0 468.29770 .
311.0 0.0 466.06952 .
334.0 0.0 463.86221 .
324.0 0.0 461.67584 .
286.0 0.0 459.51016 .
293.0 0.0 457.36508 .
325.0 0.0 455.24020 .
324.0 0.0 453.13574 .
306.0 0.0 451.05154 .
331.0 0.0 448.98758 .
321.0 0.0 446.94357 .
297.0 0.0 444.91928 .
303.0 0.0 442.91486 .
323.0 0.0 440.93002 .
328.0 0.0 438.96494 .
318.0 0.0 437.01920 .
313.0 0.0 435.09262 .
305.0 0.0 433.18552 .
305.0 0.0 431.29733 .
318.0 0.0 429.42834 .
336.0 0.0 427.57834 .
338.0 0.0 425.74680 .
326.0 0.0 423.93408 .
310.0 0.0 422.13995 .
331.0 0.0 420.36453 .
359.0 0.0 418.60727 .
367.0 0.0 416.86832 .
358.0 0.0 415.14752 .
345.0 0.0 413.44473 .
350.0 0.0 411.76007 .
338.0 0.0 410.09320 .
318.0 0.0 408.44400 .
317.0 0.0 406.81247 .
321.0 0.0 405.19843 .
322.0 0.0 403.60199 .
333.0 0.0 402.02298 .
310.0 0.0 400.46100 .
307.0 0.0 398.91620 .
317.0 0.0 397.38849 .
313.0 0.0 395.87778 .
302.0 0.0 394.38391 .
317.0 0.0 392.90668 .
323.0 0.0 391.44614 .
332.0 0.0 390.00226 .
352.0 0.0 388.57471 .
319.0 0.0 387.16360 .
303.0 0.0 385.76865 .
331.0 0.0 384.39005 .
353.0 0.0 383.02737 .
346.0 0.0 381.68073 .
343.0 0.0 380.35001 .
312.0 0.0 379.03497 .
333.0 0.0 377.73557 .
292.0 0.0 376.45203 .
328.0 0.0 375.18378 .
313.0 0.0 373.93100 .
301.0 0.0 372.69357 .
298.0 0.003356 371.47119 371.47031
306.0 0.003268 370.26419 370.26343
327.0 0.003058 369.07211 369.07132
326.0 0.003067 367.89502 367.89426
313.0 0.003195 366.73279 366.73206
313.0 0.003195 365.58524 365.58450
327.0 0.003058 364.45242 364.45172
301.0 0.003322 363.33429 363.33359
323.0 0.003096 362.23056 362.22992
317.0 0.003155 361.14120 361.14059
352.0 0.002841 360.06622 360.06561
348.0 0.002874 359.00543 359.00494
332.0 0.003012 357.95886 357.95834
304.0 0.003289 356.92633 356.92578
318.0 0.003145 355.90775 355.90723
328.0 0.003049 354.90298 354.90253
335.0 0.002985 353.91211 353.91165
311.0 0.003215 352.93494 352.93448
325.0 0.003077 351.97144 351.97098
320.0 0.003125 351.02136 351.02097
322.0 0.003106 350.08469 350.08441
306.0 0.003268 349.16156 349.16122
317.0 0.003155 348.25171 348.25131
320.0 0.003125 347.35495 347.35461
327.0 0.003058 346.47137 346.47107
323.0 0.003096 345.60068 345.60043
314.0 0.003185 344.74313 344.74292
322.0 0.003106 343.89844 343.89822
346.0 0.002890 343.06653 343.06622
339.0 0.002950 342.24722 342.24695
317.0 0.003155 341.44043 341.44025
331.0 0.003021 340.64645 340.64633
344.0 0.002907 339.86484 339.86469
332.0 0.003012 339.09555 339.09549
328.0 0.003049 338.33862 338.33853
333.0 0.003003 337.59384 337.59369
325.0 0.003077 336.86127 336.86111
329.0 0.003040 336.14069 336.14069
330.0 0.003030 335.43216 335.43204
320.0 0.003125 334.73547 334.73544
321.0 0.003115 334.05057 334.05057
349.0 0.002865 333.37753 333.37753
341.0 0.002933 332.71613 332.71609
324.0 0.003086 332.06622 332.06631
337.0 0.002967 331.42801 331.42804
306.0 0.003268 330.80106 330.80109
343.0 0.002915 330.18558 330.18567
327.0 0.003058 329.58130 329.58142
331.0 0.003021 328.98828 328.98840
328.0 0.003049 328.40637 332.08313
362.0 0.002762 327.83551 331.82611
309.0 0.003236 327.27576 333.46576
333.0 0.003003 326.72678 333.49438
370.0 0.002703 326.18869 333.63318
334.0 0.002994 325.66132 333.91260
370.0 0.002703 325.14462 334.37906
342.0 0.002924 324.63861 335.11169
388.0 0.002577 324.14313 336.30661
407.0 0.002457 323.65808 338.78888
421.0 0.002375 323.18344 345.09094
452.0 0.002212 322.71912 358.06091
442.0 0.002262 322.26505 377.76624
431.0 0.002320 321.82117 403.18625
470.0 0.002128 321.38748 433.00095
475.0 0.002105 320.96371 466.15414
462.0 0.002165 320.54999 502.48575
521.0 0.001919 320.14612 542.27997
572.0 0.001748 319.75217 586.05597
611.0 0.001637 319.36792 634.44446
639.0 0.001565 318.99332 688.20898
717.0 0.001395 318.62830 748.44720
784.0 0.001276 318.27304 816.45679
859.0 0.001164 317.92715 894.05542
921.0 0.001086 317.59064 983.71063
1078.0 0.000928 317.26355 1088.84961
1244.0 0.000804 316.94568 1214.51929
1412.0 0.000708 316.63708 1368.44006
1723.0 0.000580 316.33765 1563.32568
2088.0 0.000479 316.04727 1822.53491
2725.0 0.000367 315.76593 2198.70410
3431.0 0.0002915 315.49353 2819.76196
4021.0 0.0002487 315.23001 3700.01050
3900.0 0.0002564 314.97531 3892.53931
2932.0 0.0003411 314.72943 2874.56787
1940.0 0.000515 314.49213 1921.11829
1125.0 0.000889 314.26355 1009.90356
633.0 0.001580 314.04343 558.56842
487.0 0.002053 313.83188 436.76831
433.0 0.002309 313.62885 396.79684
395.0 0.002532 313.43414 374.90579
388.0 0.002577 313.24765 360.80145
409.0 0.002445 313.06949 351.08405
379.0 0.002639 312.89951 344.05981
353.0 0.002833 312.73767 338.79074
356.0 0.002809 312.58389 334.71957
341.0 0.002933 312.43802 331.49789
341.0 0.002933 312.30023 328.89716
340.0 0.002941 312.17023 326.76212
341.0 0.002933 312.04807 324.98428
349.0 0.002865 311.93365 323.48581
365.0 0.002740 311.82693 322.20944
350.0 0.002857 311.72787 321.11276
339.0 0.002950 311.63644 320.16302
342.0 0.002924 311.55240 319.33502
336.0 0.002976 311.47586 314.11819
357.0 0.002801 311.40683 311.40720
333.0 0.003003 311.34506 311.34540
348.0 0.002874 311.29059 311.29102
356.0 0.002809 311.24326 311.24374
336.0 0.002976 311.20325 311.20361
352.0 0.002841 311.17029 311.17065
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611.0 0.001637 452.24612 540.24420
651.0 0.001536 452.03314 588.08398
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911.0 0.001098 451.60767 802.95697
951.0 0.001052 451.39514 971.09912
1137.0 0.000880 451.18268 1191.59851
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1880.0 0.000532 450.75787 1935.08167
2661.0 0.000376 450.54568 2606.38745
3703.0 0.0002701 450.33365 3615.81934
4522.0 0.0002211 450.12170 4328.73633
3242.0 0.0003085 449.90976 3293.94409
1935.0 0.000517 449.69809 2151.45801
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2402.0 0.000416 449.27502 2333.25146
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767.0 0.001304 448.64142 792.76453
653.0 0.001531 448.43045 689.63025
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648.0 0.001543 448.00903 709.67963
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939.0 0.001065 447.37799 992.48846
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1501.0 0.000666 446.95813 1540.35425
1751.0 0.000571 446.74829 1857.28064
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1106.0 0.000904 446.32947 1138.93188
983.0 0.001017 446.12030 1032.81372
1079.0 0.000927 445.91138 1137.43665
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690.0 0.001449 445.28534 637.44183
634.0 0.001577 445.07709 592.76520
675.0 0.001481 444.86902 607.00177
723.0 0.001383 444.66104 664.21051
801.0 0.001248 444.45346 774.23810
925.0 0.001081 444.24591 928.79388
1065.0 0.000939 444.03870 1136.95483
1360.0 0.000735 443.83157 1423.35120
1895.0 0.000528 443.62469 1829.77075
2707.0 0.000369 443.41806 2449.38550
3842.0 0.0002603 443.21158 3411.43970
4634.0 0.0002158 443.00543 4340.56641
3791.0 0.0002638 442.79947 3680.79565
2394.0 0.000418 442.59366 2313.83252
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2280.0 0.000439 442.18277 2259.80176
2243.0 0.000446 441.97772 2249.45874
1480.0 0.000676 441.77289 1420.55896
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603.0 0.001658 441.36383 647.71368
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551.0 0.001815 440.95590 556.50116
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480.0 0.002083 440.14282 490.25275
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454.0 0.002203 439.53583 470.69458
446.0 0.002242 439.33414 463.93155
380.0 0.002632 439.13254 460.09338
426.0 0.002347 438.93127 457.38394
413.0 0.002421 438.73038 455.18634
424.0 0.002358 438.52960 445.25766
408.0 0.002451 438.32922 444.32507
382.0 0.002618 438.12903 443.51239
433.0 0.002309 437.92926 442.79324
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380.0 0.002632 437.53036 437.72589
409.0 0.002445 437.33145 437.50214
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443.0 0.002257 436.93439 437.06802
423.0 0.002364 436.73630 436.85583
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427.0 0.002342 436.34109 436.38397
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396.0 0.002525 435.75064 435.78238
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382.0 0.002618 434.77283 434.77344
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398.0 0.002513 434.38397 434.38455
418.0 0.002392 434.18994 434.19064
422.0 0.002370 433.99646 433.99713
395.0 0.002532 433.80319 433.80389
383.0 0.002611 433.61032 433.61090
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353.0 0.002833 431.13483 431.13550
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360.0 0.002778 430.19925 430.19992
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428.0 0.002336 429.45761 429.45837
418.0 0.002392 429.27322 429.27402
361.0 0.002770 429.08923 429.09000
381.0 0.002625 428.90558 428.90628
414.0 0.002415 428.72235 428.72314
412.0 0.002427 428.53952 428.54025
378.0 0.002646 428.35715 428.35785
400.0 0.002500 428.17514 428.17584
465.0 0.002151 427.99344 427.99420
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414.0 0.002415 427.45114 427.45190
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415.0 0.002410 426.73380 426.73453
417.0 0.002398 426.55554 426.55630
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409.0 0.002445 423.93329 426.22391
411.0 0.002433 423.76202 426.22119
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421.0 0.002375 423.25095 427.42395
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414.0 0.002415 422.74402 428.09622
420.0 0.002381 422.57596 436.40891
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425.0 0.002353 422.24130 438.48315
431.0 0.002320 422.07465 439.77966
436.0 0.002294 421.90842 441.29883
429.0 0.002331 421.74277 447.10193
410.0 0.002439 421.57745 449.51083
424.0 0.002358 421.41275 455.78772
437.0 0.002288 421.24847 459.49225
447.0 0.002237 421.08469 464.02502
436.0 0.002294 420.92126 469.69754
467.0 0.002141 420.75848 477.04626
534.0 0.001873 420.59616 490.05209
527.0 0.001898 420.43427 506.90665
550.0 0.001818 420.27283 538.89551
611.0 0.001637 420.11200 592.67761
688.0 0.001453 419.95157 674.10681
772.0 0.001295 419.79160 780.12488
908.0 0.001101 419.63226 924.05646
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1506.0 0.000664 419.31488 1455.64368
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2425.0 0.000412 418.99951 2267.78003
2076.0 0.000482 418.84256 1836.64856
1534.0 0.000652 418.68607 1418.69067
1557.0 0.000642 418.53021 1524.16821
1924.0 0.000520 418.37473 1955.74011
2259.0 0.000443 418.21982 2377.00317
2364.0 0.000423 418.06540 2563.59985
2795.0 0.000358 417.91141 3037.24219
3707.0 0.0002698 417.75806 4093.79395
5590.0 0.0001789 417.60510 5853.96582
7040.0 0.0001420 417.45273 7438.47998
5746.0 0.0001740 417.30087 6119.46729
3337.0 0.0002997 417.14951 3925.53271
3147.0 0.0003178 416.99866 3553.30371
4029.0 0.0002482 416.84833 4345.53662
4892.0 0.0002044 416.69855 5185.19922
4735.0 0.0002112 416.54932 4753.15137
4437.0 0.0002254 416.40048 4316.98145
3876.0 0.0002580 416.25226 3731.38794
2432.0 0.000411 416.10455 2531.90283
1966.0 0.000509 415.95734 2110.15088
2389.0 0.000419 415.81067 2401.44507
3031.0 0.0003299 415.66449 2895.50562
2648.0 0.000378 415.51892 2579.56543
1594.0 0.000627 415.37378 1555.13525
1038.0 0.000963 415.22925 1060.23621
922.0 0.001085 415.08527 981.83215
963.0 0.001038 414.94174 1023.46442
886.0 0.001129 414.79883 922.79041
702.0 0.001425 414.65634 691.92938
578.0 0.001730 414.51450 568.98041
518.0 0.001931 414.37311 523.52094
467.0 0.002141 414.23236 486.57202
473.0 0.002114 414.09207 473.38855
476.0 0.002101 413.95230 464.03500
455.0 0.002198 413.81311 457.05206
430.0 0.002326 413.67447 451.66147
431.0 0.002320 413.53635 440.11255
434.0 0.002304 413.39883 437.33597
452.0 0.002212 413.26187 428.53827
430.0 0.002326 413.12537 427.50250
450.0 0.002222 412.98947 426.95090
445.0 0.002247 412.85403 427.06161
413.0 0.002421 412.71927 428.51822
410.0 0.002439 412.58496 429.42435
413.0 0.002421 412.45132 437.55472
417.0 0.002398 412.31808 449.64828
429.0 0.002331 412.18549 466.11353
443.0 0.002257 412.05350 488.85614
490.0 0.002041 411.92188 523.66840
498.0 0.002008 411.79102 579.12708
541.0 0.001848 411.66061 640.96082
527.0 0.001898 411.53076 621.11090
495.0 0.002020 411.40155 533.49774
446.0 0.002242 411.27283 499.55054
444.0 0.002252 411.14468 510.55457
468.0 0.002137 411.01709 532.57660
463.0 0.002160 410.88998 513.44000
458.0 0.002183 410.76358 463.65366
456.0 0.002193 410.63770 439.39792
432.0 0.002315 410.51242 432.52658
430.0 0.002326 410.38760 430.75153
425.0 0.002353 410.26334 430.74298
416.0 0.002404 410.13974 431.86978
430.0 0.002326 410.01669 434.03879
454.0 0.002203 409.89423 438.81860
479.0 0.002088 409.77231 443.92047
516.0 0.001938 409.65097 451.69113
513.0 0.001949 409.53015 465.32028
554.0 0.001805 409.40994 495.66562
540.0 0.001852 409.29031 550.69727
681.0 0.001468 409.17120 634.94391
785.0 0.001274 409.05270 752.56177
853.0 0.001172 408.93484 917.38196
1154.0 0.000867 408.81747 1151.51038
1563.0 0.000640 408.70068 1521.86914
2231.0 0.000448 408.58453 2055.20337
2428.0 0.000412 408.46890 2322.84204
1801.0 0.000555 408.35385 1700.08386
1204.0 0.000831 408.23938 1164.93396
1163.0 0.000860 408.12558 1104.80591
1327.0 0.000754 408.01227 1279.58191
1397.0 0.000716 407.89951 1362.29382
1059.0 0.000944 407.78735 1003.92444
665.0 0.001504 407.67584 670.50555
568.0 0.001761 407.56485 547.84027
526.0 0.001901 407.45450 510.39542
494.0 0.002024 407.34464 496.21033
524.0 0.001908 407.23544 492.73734
528.0 0.001894 407.12680 500.53372
553.0 0.001808 407.01874 525.64764
630.0 0.001587 406.91122 569.81140
713.0 0.001403 406.80435 642.33905
809.0 0.001236 406.69806 745.63861
969.0 0.001032 406.59238 905.66809
1213.0 0.000824 406.48724 1155.92761
1613.0 0.000620 406.38269 1542.28137
1971.0 0.000507 406.27878 1972.40857
2002.0 0.000500 406.17538 1990.38818
1952.0 0.000512 406.07257 1836.01587
2231.0 0.000448 405.97043 2105.94336
2484.0 0.000403 405.86884 2436.39429
2189.0 0.000457 405.76779 2098.03833
1581.0 0.000633 405.66742 1535.39038
1232.0 0.000812 405.56760 1195.04761
1210.0 0.000826 405.46835 1191.20239
1258.0 0.000795 405.36981 1256.88574
1037.0 0.000964 405.27167 1002.12128
739.0 0.001353 405.17422 699.73669
624.0 0.001603 405.07733 586.91089
620.0 0.001613 404.98108 575.38934
602.0 0.001661 404.88541 606.16400
649.0 0.001541 404.79028 670.94006
720.0 0.001389 404.69586 767.50067
884.0 0.001131 404.60196 910.61694
1136.0 0.000880 404.50873 1146.38123
1541.0 0.000649 404.41599 1507.70435
1728.0 0.000579 404.32385 1777.79602
1474.0 0.000678 404.23233 1496.32703
1185.0 0.000844 404.14142 1204.11707
1208.0 0.000828 404.05112 1266.93579
1660.0 0.000602 403.96146 1581.89917
2135.0 0.000468 403.87225 2002.39124
2212.0 0.000452 403.78375 2055.11401
1522.0 0.000657 403.69586 1478.80652
936.0 0.001068 403.60849 986.60876
816.0 0.001225 403.52179 871.59485
944.0 0.001059 403.43561 948.52228
1023.0 0.000978 403.35004 1037.42346
890.0 0.001124 403.26511 876.13068
601.0 0.001664 403.18076 624.58746
508.0 0.001969 403.09702 512.97583
508.0 0.001969 403.01385 476.50104
487.0 0.002053 402.93130 460.90134
431.0 0.002320 402.84937 452.41229
411.0 0.002433 402.76810 447.52292
468.0 0.002137 402.68732 444.63693
457.0 0.002188 402.60718 443.83255
469.0 0.002132 402.52756 442.27536
493.0 0.002028 402.44864 446.64328
471.0 0.002123 402.37027 455.26273
489.0 0.002045 402.29248 473.78439
540.0 0.001852 402.21533 513.20660
597.0 0.001675 402.13879 578.23505
643.0 0.001555 402.06281 675.11310
779.0 0.001284 401.98746 807.55817
989.0 0.001011 401.91269 1000.64337
1385.0 0.000722 401.83850 1309.25098
1828.0 0.000547 401.76495 1747.79175
1942.0 0.000515 401.69199 1951.84937
1437.0 0.000696 401.61963 1424.83521
980.0 0.001020 401.54785 990.13391
975.0 0.001026 401.47662 935.14929
1073.0 0.000932 401.40613 1072.82507
1123.0 0.000890 401.33615 1183.86572
928.0 0.001078 401.26685 941.25592
641.0 0.001560 401.19806 634.22565
512.0 0.001953 401.12985 507.07813
478.0 0.002092 401.06229 465.49796
447.0 0.002237 400.99536 446.66162
423.0 0.002364 400.92899 435.45963
406.0 0.002463 400.86319 428.06528
389.0 0.002571 400.79794 422.87430
373.0 0.002681 400.73343 419.06546
399.0 0.002506 400.66943 416.16791
427.0 0.002342 400.60608 413.90228
421.0 0.002375 400.54330 412.08871
378.0 0.002646 400.48114 410.60873
416.0 0.002404 400.41949 410.79480
404.0 0.002475 400.35849 409.85785
413.0 0.002421 400.29813 409.08432
400.0 0.002500 400.23837 404.91956
410.0 0.002439 400.17914 404.68091
448.0 0.002232 400.12061 405.19208
442.0 0.002262 400.06256 405.11664
421.0 0.002375 400.00519 405.09760
419.0 0.002387 399.94836 403.34341
399.0 0.002506 399.89212 409.70770
405.0 0.002469 399.83655 410.39835
398.0 0.002513 399.78149 411.18158
409.0 0.002445 399.72714 412.07373
417.0 0.002398 399.67322 413.09546
406.0 0.002463 399.61996 414.27316
395.0 0.002532 399.56738 418.81165
441.0 0.002268 399.51538 420.62570
417.0 0.002398 399.46384 422.75211
438.0 0.002283 399.41299 425.27429
415.0 0.002410 399.36282 428.30832
404.0 0.002475 399.31308 432.01947
424.0 0.002358 399.26398 436.66672
459.0 0.002179 399.21555 442.66843
447.0 0.002237 399.16769 451.23181
442.0 0.002262 399.12039 463.93390
524.0 0.001908 399.07361 487.43738
566.0 0.001767 399.02747 530.00433
613.0 0.001631 398.98203 594.13226
676.0 0.001479 398.93707 688.20624
885.0 0.001130 398.89270 819.25024
1065.0 0.000939 398.84894 1010.92426
1379.0 0.000725 398.80573 1313.21191
1746.0 0.000573 398.76321 1627.43335
1664.0 0.000601 398.72116 1511.77625
1287.0 0.000777 398.67975 1145.51660
1148.0 0.000871 398.63901 1123.44946
1431.0 0.000699 398.59879 1391.81982
1894.0 0.000528 398.55911 1868.76697
2338.0 0.000428 398.52008 2334.12207
2832.0 0.000353 398.48154 2792.29688
3932.0 0.0002543 398.44373 3740.91357
5207.0 0.0001920 398.40643 5103.99219
5015.0 0.0001994 398.36966 5244.08789
3189.0 0.0003136 398.33359 3307.71167
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2608.0 0.000383 398.22870 2630.26636
2851.0 0.000351 398.19492 2962.61377
2154.0 0.000464 398.16168 2131.28613
1236.0 0.000809 398.12900 1174.43188
787.0 0.001271 398.09702 797.49890
665.0 0.001504 398.06555 691.03418
656.0 0.001524 398.03467 666.02728
696.0 0.001437 398.00433 682.65045
774.0 0.001292 397.97464 737.78192
801.0 0.001248 397.94547 794.55048
702.0 0.001425 397.91687 725.35291
603.0 0.001658 397.88885 612.94879
574.0 0.001742 397.86145 584.22919
591.0 0.001692 397.83453 618.45258
647.0 0.001546 397.80838 684.90448
716.0 0.001397 397.78262 733.99731
751.0 0.001332 397.75748 744.55920
871.0 0.001148 397.73297 819.89514
971.0 0.001030 397.70895 999.47211
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1109.0 0.000902 397.66272 1189.50183
916.0 0.001092 397.64047 990.65747
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1197.0 0.000835 397.59756 1189.21216
1523.0 0.000657 397.57706 1533.68188
1814.0 0.000551 397.55707 1769.61279
1319.0 0.000758 397.53769 1380.89124
874.0 0.001144 397.51883 910.02319
685.0 0.001460 397.50055 766.34351
805.0 0.001242 397.48282 807.40948
942.0 0.001062 397.46567 909.23029
907.0 0.001103 397.44910 879.29193
628.0 0.001592 397.43301 651.61560
492.0 0.002033 397.41754 510.11597
438.0 0.002283 397.40268 460.34766
424.0 0.002358 397.38840 441.11749
410.0 0.002439 397.37451 430.55304
407.0 0.002457 397.36133 423.71567
421.0 0.002375 397.34869 418.95139
418.0 0.002392 397.33661 415.46320
405.0 0.002469 397.32501 412.43588
384.0 0.002604 397.31406 410.38123
428.0 0.002336 397.30362 408.73691
436.0 0.002294 397.29376 407.39581
399.0 0.002506 397.28439 406.28546
396.0 0.002525 397.27560 405.16205
401.0 0.002494 397.26740 404.38269
408.0 0.002451 397.25974 403.71506
393.0 0.002545 397.25262 403.29532
419.0 0.002387 397.24606 402.80365
424.0 0.002358 397.24011 401.47864
407.0 0.002457 397.23462 401.15787
394.0 0.002538 397.22974 400.87756
372.0 0.002688 397.22534 400.63205
385.0 0.002597 397.22159 400.49704
403.0 0.002481 397.21829 399.85410
388.0 0.002577 397.21552 398.48676
374.0 0.002674 397.21332 398.45016
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402.0 0.002488 397.21066 398.41141
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401.0 0.002494 397.21057 397.84625
380.0 0.002632 397.21164 397.91934
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673.0 0.001486 454.59702 594.51556
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558.0 0.001792 454.89011 615.35834
674.0 0.001484 454.94775 710.20496
767.0 0.001304 455.00513 819.65570
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640.0 0.001563 455.11902 698.43665
561.0 0.001783 455.17551 602.89081
555.0 0.001802 455.23160 587.20184
597.0 0.001675 455.28741 630.63379
703.0 0.001422 455.34293 734.22400
881.0 0.001135 455.39822 910.95984
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730.0 0.001370 455.98480 707.48077
545.0 0.001835 456.03629 588.01953
508.0 0.001969 456.08737 535.22986
476.0 0.002101 456.13818 518.36334
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545.0 0.001835 456.23883 529.24628
528.0 0.001894 456.28867 555.48383
574.0 0.001742 456.33823 602.79138
705.0 0.001418 456.38739 661.09808
742.0 0.001348 456.43631 684.70197
660.0 0.001515 456.48486 643.64819
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1330.0 0.000752 457.04239 1319.59351
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1114.0 0.000898 457.13077 1015.87988
749.0 0.001335 457.17447 732.49377
584.0 0.001712 457.21780 622.74268
556.0 0.001799 457.26086 606.45386
604.0 0.001656 457.30359 632.65253
655.0 0.001527 457.34598 702.81744
740.0 0.001351 457.38803 774.16095
732.0 0.001366 457.42975 746.18488
634.0 0.001577 457.47122 620.88550
554.0 0.001805 457.51224 542.36121
501.0 0.001996 457.55304 509.90683
469.0 0.002132 457.59335 496.52853
480.0 0.002083 457.63342 489.53058
475.0 0.002105 457.67322 485.32449
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449.0 0.002227 457.82895 482.98959
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512.0 0.001953 457.94220 486.19812
503.0 0.001988 457.97928 487.35043
505.0 0.001980 458.01608 490.54617
500.0 0.002000 458.05243 495.84882
463.0 0.002160 458.08853 501.68066
496.0 0.002016 458.12427 511.27844
511.0 0.001957 458.15973 522.69751
515.0 0.001942 458.19479 539.67938
551.0 0.001815 458.22955 568.91791
633.0 0.001580 458.26398 622.66772
719.0 0.001391 458.29807 737.93750
851.0 0.001175 458.33179 954.26385
1132.0 0.000883 458.36517 1286.50696
1682.0 0.000595 458.39825 1811.00537
2041.0 0.000490 458.43097 2106.94312
1628.0 0.000614 458.46332 1694.29822
1034.0 0.000967 458.49542 1099.28784
780.0 0.001282 458.52716 829.75616
805.0 0.001242 458.55853 785.65485
802.0 0.001247 458.58957 859.62183
901.0 0.001110 458.62024 1025.42639
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1346.0 0.000743 458.68069 1368.25354
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892.0 0.001121 458.73972 875.47260
838.0 0.001193 458.76871 831.82043
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1249.0 0.000801 458.82574 1243.09033
1743.0 0.000574 458.85376 1718.12634
2420.0 0.000413 458.88132 2366.71655
2693.0 0.000371 458.90872 2553.10352
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1367.0 0.000732 458.96234 1329.55823
1272.0 0.000786 458.98859 1220.14148
1456.0 0.000687 459.01447 1434.69397
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1002.0 0.000998 459.27734 979.47205
1121.0 0.000892 459.29922 1078.23743
1394.0 0.000717 459.32071 1347.81091
1713.0 0.000584 459.34183 1681.00342
1777.0 0.000563 459.36267 1691.63745
1388.0 0.000720 459.38309 1284.65454
1055.0 0.000948 459.40329 990.34680
1027.0 0.000974 459.42303 972.35657
1191.0 0.000840 459.44247 1175.66492
1587.0 0.000630 459.46152 1570.72888
2289.0 0.000437 459.48032 2165.67554
2535.0 0.000394 459.49869 2457.66162
2068.0 0.000484 459.51678 1942.51282
1283.0 0.000779 459.53445 1257.62927
862.0 0.001160 459.55185 912.46210
786.0 0.001272 459.56885 829.72156
871.0 0.001148 459.58551 897.17773
1078.0 0.000928 459.60187 1073.44714
1305.0 0.000766 459.61789 1335.64697
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1111.0 0.000900 459.64877 1069.77112
769.0 0.001300 459.66376 773.54083
582.0 0.001718 459.67841 648.59430
551.0 0.001815 459.69260 602.86615
541.0 0.001848 459.70657 576.69543
529.0 0.001890 459.72009 559.78668
551.0 0.001815 459.73331 557.03430
518.0 0.001931 459.74619 553.24744
513.0 0.001949 459.75870 531.20325
517.0 0.001934 459.77090 513.73627
488.0 0.002049 459.78275 508.17987
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483.0 0.002070 459.81622 493.98495
466.0 0.002146 459.82666 487.67148
488.0 0.002049 459.83679 486.08704
452.0 0.002212 459.84653 485.70856
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559.0 0.001789 459.89789 504.80353
551.0 0.001815 459.90515 517.75873
551.0 0.001815 459.91217 534.77234
583.0 0.001715 459.91882 548.50458
588.0 0.001701 459.92511 560.23883
656.0 0.001524 459.93115 593.29431
723.0 0.001383 459.93671 677.07953
891.0 0.001122 459.94199 838.25745
1165.0 0.000858 459.94690 1096.52710
1571.0 0.000637 459.95142 1458.53845
1691.0 0.000591 459.95569 1589.42114
1316.0 0.000760 459.95956 1231.31750
898.0 0.001114 459.96304 864.97797
733.0 0.001364 459.96625 713.73291
670.0 0.001493 459.96909 695.24988
730.0 0.001370 459.97159 755.44507
918.0 0.001089 459.97369 881.00458
1131.0 0.000884 459.97552 1079.11243
1286.0 0.000778 459.97699 1204.25037
1268.0 0.000789 459.97812 1160.52844
1196.0 0.000836 459.97885 1220.23267
1425.0 0.000702 459.97931 1530.05432
1929.0 0.000518 459.97934 2015.32019
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1544.0 0.000648 459.97845 1525.62500
1076.0 0.000929 459.97748 1033.60718
830.0 0.001205 459.97614 860.32727
866.0 0.001155 459.97452 878.09473
979.0 0.001021 459.97247 997.06445
1199.0 0.000834 459.97012 1168.69019
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909.0 0.001100 459.93347 868.74274
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722.0 0.001385 459.92154 748.79401
786.0 0.001272 459.91501 774.91351
745.0 0.001342 459.90820 772.14984
783.0 0.001277 459.90106 809.49603
936.0 0.001068 459.89349 924.70581
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988.0 0.001012 459.87744 964.96008
773.0 0.001294 459.86887 777.35974
593.0 0.001686 459.85999 636.70416
591.0 0.001692 459.85080 580.50720
570.0 0.001754 459.84119 569.72955
557.0 0.001795 459.83127 586.11108
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651.0 0.001536 459.81039 692.46118
768.0 0.001302 459.79947 759.45703
821.0 0.001218 459.78818 805.67065
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443.0 . . .
