LMucko/crystallography-open-database huggingface dataset:
Ab initio structure determination of LiCF3SO3 from X-ray powder diffraction data using entropy maximization and likelihood ranking
Tremayne, M.; Lightfoot, P.; Mehta, M. A.; Bruce, P. G.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G.; Journal of Solid State Chemistry 100 (1992) 191–196; doi:

data_1546509
_publ_section_title
;
 Ab initio structure determination of LiCF3SO3 from X-ray powder
 diffraction data using entropy maximization and likelihood ranking
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              191
_journal_page_last               196
_journal_volume                  100
_journal_year                    1992
_chemical_formula_sum            'C F3 Li O3 S'
_chemical_formula_weight         156.01
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.319(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.2432(2)
_cell_length_b                   5.0591(1)
_cell_length_c                   9.5592(3)
_cell_volume                     495.36(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    6.033
_exptl_crystal_density_diffrn    2.092
_exptl_crystal_F_000             304
_pd_proc_ls_prof_wR_factor       0.076
_refine_ls_number_reflns         309
_cod_data_source_file            JSSC-1992-100-191-196.cif
_cod_data_source_block           LiCF3SO3
_cod_depositor_comments
;
Joint refinement X-ray and neutron powder diffraction data

Rwp = 0.071 for neutron (Time of Flight)
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1546509
Crystal structure and vibrational spectra of Li2BAlO4
Psycharis, V.; Kapoutsis, I. A.; Chryssikos, G. D.; Journal of Solid State Chemistry 142 (1999) 214–219; doi:

data_1546510
_publ_section_title
;
 Crystal structure and vibrational spectra of Li2BAlO4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              214
_journal_page_last               219
_journal_volume                  142
_journal_year                    1999
_chemical_formula_moiety         'Al B O4, 2(Li)'
_chemical_formula_sum            'Al B Li2 O4'
_chemical_formula_weight         115.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 95.882(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.2720(3)
_cell_length_b                   5.0701(3)
_cell_length_c                   10.2989(6)
_cell_volume                     325.78(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    4.284
_exptl_crystal_density_diffrn    2.358
_exptl_crystal_F_000             224
_pd_proc_ls_prof_R_factor        0.0617
_pd_proc_ls_prof_wR_expected     0.0275
_pd_proc_ls_prof_wR_factor       0.1113
_refine_ls_number_reflns         417
_refine_ls_R_I_factor            0.0514
_cod_data_source_file            JSSC-1999-142-214-219.cif
_cod_data_source_block           Li2BAlO4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1546510
Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-5) prepared in the presence of 1,4,8,11-tetraazacyclotetradecane
Wessels, T.; McCusker, L. B.; Baerlocher, Ch.; Reinert, P.; Patarin, J.; Microporous and Mesoporous Materials 23 (1998) 67–77; doi:

data_1546511
_publ_section_title
;
 Synthesis, characterization and structure determination of a new
 fluorogallophosphate (Mu-5) prepared in the presence of
 1,4,8,11-tetraazacyclotetradecane
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              67
_journal_page_last               77
_journal_volume                  23
_journal_year                    1998
_chemical_formula_sum            'C10 H25 F2 Ga5 N4 O17 P4'
_chemical_formula_weight         983.83
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.372(2)
_cell_length_b                   10.447(1)
_cell_length_c                   18.538(2)
_cell_volume                     2589.7(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         synchrotron
_diffrn_radiation_wavelength     0.80212
_exptl_absorpt_coefficient_mu    7.576
_exptl_crystal_density_diffrn    2.521
_exptl_crystal_F_000             1924
_pd_proc_ls_prof_wR_expected     0.092
_pd_proc_ls_prof_wR_factor       0.153
_refine_ls_number_parameters     117
_refine_ls_number_reflns         1500
_refine_ls_R_Fsqd_factor         0.049
_cod_data_source_file            Micro-Meso-Mater-1998-23-67-77.cif
_cod_data_source_block           Mu-5
_cod_original_formula_sum        'H25 C10 F2 Ga5 N4 O17 P4'
_cod_database_code               1546511
Crystal structures of the polymer electrolytes poly(ethyne oxide)4:MSCN (M = NH4, K)
Lightfoot, P.; Nowinski, J. L.; Bruce, P. G.; Journal of the American Chemical Society 116 (1994) 7469–7470; doi:

data_4126269
_publ_section_title
;
 Crystal structures of the polymer electrolytes poly(ethyne oxide)4:MSCN
 (M = NH4, K)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7469
_journal_page_last               7470
_journal_volume                  116
_journal_year                    1994
_chemical_formula_sum            'C9 H6 K N O4 S'
_chemical_formula_weight         263.311
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 125.99(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   25.513(3)
_cell_length_b                   8.0813(7)
_cell_length_c                   16.097(1)
_cell_volume                     2685.3(5)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_pd_proc_ls_prof_wR_factor       0.0498
_refine_ls_goodness_of_fit_ref   1.26
_refine_ls_number_parameters     110
_refine_ls_number_reflns         465
_cod_data_source_file            J-Am-Chem-Soc-1994-116-7469-7470-1.cif
_cod_data_source_block           PEO4:KSCN
_cod_original_cell_volume        2685.4(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H6 C9 K N O4 S'
_cod_database_code               4126269
Crystal structures of the polymer electrolytes poly(ethyne oxide)4:MSCN (M = NH4, K)
Lightfoot, P.; Nowinski, J. L.; Bruce, P. G.; Journal of the American Chemical Society 116 (1994) 7469–7470; doi:

data_4126270
_publ_section_title
;
 Crystal structures of the polymer electrolytes poly(ethyne oxide)4:MSCN
 (M = NH4, K)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7469
_journal_page_last               7470
_journal_volume                  116
_journal_year                    1994
_chemical_formula_sum            'C9 H10 N2 O4 S'
_chemical_formula_weight         242.251
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 125.26(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   25.663(2)
_cell_length_b                   8.2318(7)
_cell_length_c                   15.801(1)
_cell_volume                     2725.6(5)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_pd_proc_ls_prof_wR_factor       0.0490
_refine_ls_goodness_of_fit_ref   1.52
_refine_ls_number_parameters     120
_refine_ls_number_reflns         409
_cod_data_source_file            J-Am-Chem-Soc-1994-116-7469-7470-2.cif
_cod_data_source_block           PEO4:NH4SCN
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H10 C9 N2 O4 S'
_cod_database_code               4126270
Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data
Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G.; Journal of the Chemical Society, Perkin Transactions 2 (1993) 1626–1630; doi:

data_7228672
_publ_section_title
;
 Investigation and rationalisation of hydrogen bonding patterns in
 sulfonylamino compounds and related materials: crystal structure
 determination of microcrystalline solids from powder X-ray diffraction
 data
;
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions'
_journal_page_first              1626
_journal_page_last               1630
_journal_volume                  2
_journal_year                    1993
_chemical_formula_sum            'C7 H9 N O2 S'
_chemical_formula_weight         171.216
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 92.411(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.7030(3)
_cell_length_b                   16.4656(7)
_cell_length_c                   6.5861(3)
_cell_volume                     834.61(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_pd_proc_ls_prof_wR_factor       0.070
_refine_ls_number_reflns         371
_cod_data_source_file            J-Chem-Soc-Perkin-Trans-1993-2-1625-1630-1.cif
_cod_data_source_block           1-p-CH3C6H4SO2NH2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H9 C7 N O2 S'
_cod_database_code               7228672
Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data
Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G.; Journal of the Chemical Society, Perkin Transactions 2 (1993) 1626–1630; doi:

data_7228673
_publ_section_title
;
 Investigation and rationalisation of hydrogen bonding patterns in
 sulfonylamino compounds and related materials: crystal structure
 determination of microcrystalline solids from powder X-ray diffraction
 data
;
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions'
_journal_page_first              1626
_journal_page_last               1630
_journal_volume                  2
_journal_year                    1993
_chemical_formula_sum            'C6 H8 N2 O2 S'
_chemical_formula_weight         172.205
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 108.591(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.0924(2)
_cell_length_b                   8.6082(2)
_cell_length_c                   11.7122(4)
_cell_volume                     773.31(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_pd_proc_ls_prof_wR_factor       0.122
_refine_ls_number_reflns         633
_cod_data_source_file            J-Chem-Soc-Perkin-Trans-1993-2-1625-1630-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H8 C6 N2 O2 S'
_cod_database_code               7228673
Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino compounds and related materials: crystal structure determination of microcrystalline solids from powder X-ray diffraction data
Lightfoot, Philip; Tremayne, Maryjane; Glidewell, Christopher; Harris, Kenneth D. M.; Bruce, Peter G.; Journal of the Chemical Society, Perkin Transactions 2 (1993) 1626–1630; doi:

data_7228674
_publ_section_title
;
 Investigation and rationalisation of hydrogen bonding patterns in
 sulfonylamino compounds and related materials: crystal structure
 determination of microcrystalline solids from powder X-ray diffraction
 data
;
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions'
_journal_page_first              1626
_journal_page_last               1630
_journal_volume                  2
_journal_year                    1993
_chemical_formula_sum            'C7 H10 N2 O2 S'
_chemical_formula_weight         186.231
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 106.222(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   18.6021(6)
_cell_length_b                   5.6406(2)
_cell_length_c                   8.5356(3)
_cell_volume                     859.96(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_pd_proc_ls_prof_wR_factor       0.078
_refine_ls_number_reflns         530
_cod_data_source_file            J-Chem-Soc-Perkin-Trans-1993-2-1625-1630-3.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H10 C7 N2 O2 S'
_cod_database_code               7228674
A refinement of the structure of V~2~O~5~
Enjalbert, Renee; Galy, Jean; Acta Crystallographica, Section C: Crystal Structure Communications 42 (1986) 1467–1469; doi:10.1107/s0108270186091825

data_2020756
_publ_section_title
;
 A refinement of the structure of V~2~O~5~
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1467
_journal_page_last               1469
_journal_paper_doi               10.1107/s0108270186091825
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'O5 V2'
_chemical_formula_weight         181.88
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.512(3)
_cell_length_b                   3.564(1)
_cell_length_c                   4.368(1)
_cell_volume                     179.21(8)
_diffrn_ambient_temperature      292
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.94
_exptl_crystal_density_diffrn    3.37
_exptl_crystal_F_000             172
_refine_ls_number_parameters     24
_refine_ls_number_reflns         334
_refine_ls_R_factor_gt           0.020
_refine_ls_wR_factor_gt          0.027
_cod_data_source_file            Acta-Cryst-1986-C42-1467-1469.cif
_cod_data_source_block           V2O5
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               2020756
X-ray powder diffraction crystal structure analysis and 29Si, 23Na MAS N.M.R. studies of nitrite sodalite, Na8[AlSiO4]6(NO2)2, at 295K
Kempa, P. B.; Engelhardt, G.; Buhl, J. Ch.; Felsche, J.; Harvey, G.; Baerlocher, Ch.; Zeolites 11 (1991) 558–562; doi:

data_1546523
_publ_section_title
;
 X-ray powder diffraction crystal structure analysis and 29Si, 23Na MAS
 N.M.R. studies of nitrite sodalite, Na8[AlSiO4]6(NO2)2, at 295K
;
_journal_name_full               Zeolites
_journal_page_first              558
_journal_page_last               562
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'Al6 N2 Na8 O28 Si6'
_chemical_formula_weight         990.317
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   8.930(1)
_cell_length_b                   8.930(1)
_cell_length_c                   8.930(1)
_cell_volume                     712.12(14)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_pd_proc_ls_prof_wR_expected     0.063
_pd_proc_ls_prof_wR_factor       0.091
_refine_ls_number_parameters     14
_refine_ls_number_reflns         135
_refine_ls_R_Fsqd_factor         0.033
_cod_data_source_file            Zeolites-1991-11-558-562.cif
_cod_data_source_block           nitrite-sodalite
_cod_original_cell_volume        712.1(2)
_cod_database_code               1546523
Aniline in Yb,Na-Y: a neutron powder diffraction study
Czjzek, Mirjam; Vogt, Thomas; Fuess, Harmut; Zeolites 11 (1991) 832–836; doi:

data_1546526
_publ_section_title
;
 Aniline in Yb,Na-Y: a neutron powder diffraction study
;
_journal_name_full               Zeolites
_journal_page_first              832
_journal_page_last               836
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'C72 Al55 D84 N12 Na13 O384 Si137 Yb14'
_chemical_formula_weight         15398.9
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   24.6052(9)
_cell_length_b                   24.6052(9)
_cell_length_c                   24.6052(9)
_cell_volume                     14896.4(9)
_diffrn_ambient_temperature      5
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.594
_pd_proc_ls_prof_wR_expected     0.059
_pd_proc_ls_prof_wR_factor       0.126
_refine_ls_R_I_factor            0.102
_cod_data_source_file            Zeolites-1991-11-832-836.cif
_cod_data_source_block           Na-Yb-aniline
_cod_depositor_comments
;
Deuterated aniline (12 molecules in the cell)
Formula  :  Yb14Na13Al55Si137O384.(C6H5NH2)12
;
_cod_original_cell_volume        14896.4(16)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'D84 C72 Al55 N12 Na13 O384 Si137 Yb14'
_cod_database_code               1546526
Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block
Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.; Dalton Trans.  (2017) –; doi:10.1039/C7DT01742A

data_7043609
_publ_section_title
;
 Hydrothermal assembly, structures, topologies, luminescence, and
 magnetism of a novel series of coordination polymers driven by a
 trifunctional nicotinic acid building block
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01742A
_journal_year                    2017
_chemical_formula_sum            'C23 H19 Cd N3 O7'
_chemical_formula_weight         561.810
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2016-11-14
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-08 deposited with the CCDC.
2017-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 108.483(4)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.1855(5)
_cell_length_b                   10.1391(3)
_cell_length_c                   16.7657(6)
_cell_volume                     2287.00(14)
_refine_ls_R_factor_all          0.040
_cod_data_source_file            c7dt01742a2.cif
_cod_data_source_block           291-1Cd
_cod_original_cell_volume        2287.0(1)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               7043609
?
Adalikwu, Stephen Adie; Offiong, Offiong Efanga; Ayi, Ayi Anyama; To be published in Molbank  () –; doi:

data_3000131
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in Molbank'
_chemical_formula_sum            'C22 H18 N2 O4 Zn'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.4910(10)
_cell_angle_gamma                90.00
_cell_length_a                   10.4566(2)
_cell_length_b                   13.3085(2)
_cell_length_c                   13.7189(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1870.88(5)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0400
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1557
_cod_database_code               3000131
_cod_hold_until_date             2017-12-17