File: cif2cod_002.out

package info (click to toggle)
cod-tools 3.1.0%2Bdfsg-3
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 149,700 kB
  • sloc: perl: 56,946; sh: 32,158; ansic: 6,385; xml: 1,982; yacc: 1,117; makefile: 728; python: 166
file content (8 lines) | stat: -rw-r--r-- 1,322 bytes parent folder | download 
1
2
3
4
5
6
7
8
 
scripts/cif2cod: tests/cases/cif2cod_002.inp data_global: WARNING, data block does not contain fractional coordinates.
scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
"1000000";"7.8783";"0.0002";"10.46890";"0.0001";"16.0680";"0.0004";"90.00";NULL;"95.1470";"0.001";"90.00";NULL;"1319.90";"0.05";"296";"2";"296";"2";NULL;NULL;NULL;NULL;NULL;NULL;"?";"6";"P2~1~/n";NULL;NULL;NULL;NULL;"- C5 H17 Al N2 O8 P2 -";"- C5 H17 Al N2 O8 P2 -";"- C20 H68 Al4 N8 O32 P8 -";"4";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.71073";"MoKα";NULL;"0.1073";"0.0584";NULL;"0.2069";NULL;"0.1362";NULL;NULL;"1.055";NULL;NULL;"1.080";NULL;NULL;NULL;"has coordinates";"\n\n\n\n()\n";NULL