Lille Spectroscopic Database Project

The main goal of the project is to facilitate the access to the spectroscopic data obtained by (or in collaboration with) our research group at PhLAM Laboratory, University of Lille. Lille Spectroscopic Database (LSD) is a complementary tool to the well known resources like JPL catalog, and Cologne Database for Molecular Spectroscopy (CDMS). While the great majority of the data from our group is directly available as supplementary material to our publications, LSD is an additional tool providing more versatility in the data access.

Lille Spectroscopic Database is created and maintained by Roman Motiyenko and Laurent Margulès

Recent Entries

Dec. 2023: HOCH2CN (tunneling vt=0,1: 57804); DOCH2CN (tunneling vt=0,1: 58801); HO13CH2CN (tunneling vt=0,1: 58802); HOCH213CN (tunneling vt=0,1: 58803)
Nov. 2023: HCOOCH3 (vt=0, 1: 60802)
Jul. 2023: CH3NH2 (vt=1: 31803); CH3NH2 (vt=1: including hyperfine structure: 31804)
Jun. 2023: CH3CHCO (vt=0, 1: 56801)
Mar. 2023: (CH3)2CNH (vt=0: 57803)

Data Access

Data can be accessed using standard web interface: by entry or by search form. For non web applications, a set of API functions may be used. A search bar in the navigation menu may be used to search database entries by their chemical name or formula or to launch a rapid search by frequency.

Data Output

For each species identified by a tag, data can be downloaded in a [tag].zip archive containing 3 files:
[tag].zip
[tag].cat
standard .cat format file with predicted spectra
[tag].erg
optional file listing energy levels in cm-1, their uncertainties, and quantum numbers
readme_[tag].txt
file with short data description and partition function values
[tag].bib
bibliography file with recommended citation(s) for the data

Each .cat file can be generated with the following options:

A Choice of line intensity units (useful relations for intensity units conversions are available at CDMS website):
nm2 MHz
Debye2
s-1
B Choice of frequency range:
Full range
Min & Max
Frequency limits of the ALMA bands

Quantum Numbers Formats

Most of the molecular spectra are predicted using the programs and models that are not compatible with SPFIT/SPCAT quantum numbers formats. For each table, the information about quantum numbers is provided in readme.txt as well as online. For further details, see Quantum Numbers Formats section.