scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_chemical_formula_sum' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, no Hermann-Mauguin space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_cell_formula_units_Z' was not found -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_chemical_formula_sum' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, no Hermann-Mauguin space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_cell_formula_units_Z' was not found -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_chemical_formula_sum' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, no Hermann-Mauguin space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_cell_formula_units_Z' was not found -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_chemical_formula_sum' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, no Hermann-Mauguin space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_cell_formula_units_Z' was not found -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' was not found.
file none
nel 0
formula ?
method ?
flags 
text \n\n\n\n()\n

file single
nel 0
formula ?
method single crystal
flags 
text \n\n\n\n()\n

file powder
nel 0
formula ?
method powder diffraction
flags 
text \n\n\n\n()\n

file theoretical
nel 0
formula ?
method theoretical
flags 
text \n\n\n\n()\n
