Table information for 'casa_lines.specsupp'

General

Table Description: Per-species metadata for the CASA lines.

This table is available for ADQL queries and through the TAP endpoint.

Resource Description:

This is a rendering of the CASA Offline Splatalogue in a draft SLAP2 service, mainly intended to enable verification of the standard. This is not recommended for production yet. In particular, many InChIs are known wrong, and we have skipped several hundred lines because we did have no InChIs for their species at all.

For a list of all services and tables belonging to this table's resource, see Information on resource 'Splatalogue CASA SLAP2'

Resource Reference URL: Resource info

Citing this table

This table has an associated publication. If you use data from it, it may be appropriate to reference 2007AAS...21113211R (ADS BibTeX entry for the publication) either in addition to or instead of the service reference.

To cite the table as such, we suggest the following BibTeX entry:

@MISC{vo:casa_lines_specs,
  year=2022,
  title={Splatalogue {CASA} {SLAP2}},
  author={Brogan, C. and Remijan, A. J. and Markwick-Kemper, A.},
  url={https://dc.g-vo.org/tableinfo/casa_lines.specsupp},
  howpublished={{VO} resource provided by the {GAVO} Data Center}
}

Columns

Sorted alphabetically. [Sort by DB column index]

NameTable Head DescriptionUnitUCD
inchikey Inchikey The InChi key (hash) of the species. N/A meta.id;phys.atmol
mol_structure Mol_structure Inferred or divined molecule structure the GAVO data centre used to compute the inchi. This is in a custom syntax explained in the footnote; use it for debugging if you disagree with an inchi. [Note molsyn] N/A N/A
number_of_atoms Number_of_atoms Number of atoms in the species. N/A N/A
species_stoichiometric_formula Species_stoichiometric_formula Stoichiometric formula of a species, i.e., atomic constituents forllowed by the total number of their occurrence as in CH4O. N/A phys.atmol.element
species_type Species_type Type of the species (either atom or molecule). N/A N/A

Columns that are parts of indices are marked like this.

Other

The following services may use the data contained in this table:

VOResource

VO nerds may sometimes need VOResource XML for this table.

Notes

Note molsyn

The molecule specification consists of whitespace-separated atoms or connections in arbitrary order. An atom is [isotope]Atom[charge], where isotope is a number and charge a number of + or -. A connection is index(-=#)index, where index enumerates the atom, 1-based and -,=,# is a single, double, or triple bond.

Examples::
H 1-2 H H H O 1-3 2-3 H 1-2 C 2#3 C 3-4 C H H H 4-5 4-6 4-7