1. Development of a Solid Spectroscopy Data Model (SSDM)
“Grenoble Astrophysics and Planetology Solid Spectroscopy
and Thermodynamics" database service
Bernard Schmitt, Damien Albert
and the SSDM Expert group*
Institut de Planétologie et d’Astrophysique de Grenoble, CNRS / UJF
ASOV 17 Jan 2012 1 1

2. SSDM General Structure
SAMPLE
INSTRUMENT
EXPERIMENT
SPECTRA
BAND LIST
REFERENCES

3. PLANNING 2010 « Spectrodatabase »
Solid Spectroscopy Data Model
PLANNING 2010 « Spectrodatabase »
Relational database advantages
Permits to store a wide range of parameters variations in experiments.
Experiment samples can handle complex structures (multiple layers / materials / constituents / precursors).
Samples and experiments can have a relation to a parent sample/experiment, enabling full history for those.
At term for an advanced use every parameters could be searchable.
Molecule database identification standards available in SSDM :
InChIKey (International Chemical Identifier).
CAS Registry Number (Chemical Abstracts Service).
IUPAC Name
SSDM Overview 3 3

4. PLANNING 2010 « Spectrodatabase »
Spectrum data model
PLANNING 2010 « Spectrodatabase »
Spectrum « meta-data » in single table
Spectrum data stored in database
Advanced Spectrum products
Additional spectrum informations displayable
Spectrum tables
Absorption coefficient tables 4 4

5. Sample description Sample scientific description SAMPLE LAYERS
MATERIALS
(grains: simple or complexe)
 mixing
LAYER 2
LAYER 1
SPECIES
(molecular, mineral, atomic)
 combinations
CONSTITUENTS (phases)
 arrangement
- pure solid,
- molecular mixture,
- polymer,
- clathrate, hydrate, …
- adsorption, absorption, …
- heterogeneous polycrystal,
- coated grains
- crystal with adsorbed molecule
- complex mix of constituents, … 5

6. PLANNING 2010 « Spectrodatabase »
Sample & Material model
PLANNING 2010 « Spectrodatabase »
Heavy relational tables
Handle all of the scientific description specificities 6 6

7. PLANNING 2010 « Spectrodatabase »
Parameters set model
PLANNING 2010 « Spectrodatabase »
Parameters set are a way to store the same meta-datas for different objects
Static values are stored in the object table
More versatile solution, but difficult to handle simply with datamining tools
Necessity of an interoperability layer with communication protocols 7 7

8. PLANNING 2010 « Spectrodatabase »
Import XML Schema
PLANNING 2010 « Spectrodatabase »
Ensures valid XML documents
Human-readable errors 8 8

9. PLANNING 2010 « Spectrodatabase »
Import XML Templates
PLANNING 2010 « Spectrodatabase »
Can be produced by hand or automated
Doesn’t reflect all the complexity of the relational model 9 9

10. PLANNING 2010 « Spectrodatabase »
VO / VAMDC
PLANNING 2010 « Spectrodatabase »
Part of the VAMDC VO, Registered as service
Necessity of a mapping to VAMDC dictionary keywords
Interoperability layer to support the TAP protrocol
Real-time request with ACL acts as a table-view
Query language supported : VAMDC SQL Subset 1 & 2 (VSS)
Output language:XSAMS
Future evolution : Integration with other VOs 10 10