1. ● Link between : – the DALIA tool (Direct Approach to Spectral Line Analysis ) ● Generic Interface for Modelisation Codes – the Basecol database ● Use of the Simple Line Access Protocol to get spectroscopic data DALIA interface and Basecol DB

2. Basecol Database http://www.obspm.fr/basecol Nicolas Moreau LERMA, Paris Observatory Science Team: M.L. Dubernet *, F. Daniel *, D. Flower ***, A. Grosjean ** Supported by LERMA, VO-Paris Data Center, National Program « Physico- Chimie du milieu interstellaire », NSF “Masse de Données en Astrophysique” project * LERMA, Paris Observatory ** Besançon Observatory *** Durham University, UK

3. Objectives/Content ● Published (de)-excitation rate coefficients – Rotational excitation (fine, hyperfine structure) – Ro-vibrational, Vibrational excitation(not exhaustive) – Currently: 21 Target molecules – Perturbers : He, H, H 2 (not exhaustive) – 76 collisional systems – Fully documented and referenced (630 ref.) – Fitting coefficients, visualisation tools ● Linked to CDMS and JPL – Theoretical and experimental energy levels – Einstein coefficients

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7. Updating CDMS and JPL data CDMS/JPL files aspiration Update every week Update Analyze files Insert files in Mysql Matching with Basecol data yes no

8. User Web GUI Apache Server MySQL Database SOAP Service Tomcat/Axis Client Software Uses / develops HTTP GET Service Accessing Basecol

9. Link to PDR Code / radiative transfer code F. Le Petit (Meudon)Moshe Elitzur (U. of Kentucky)

10. Link to PDR Code / radiative transfer code ● Query Parameter – TARGET ● Return VOTable with – List of collisions with TARGET + all COLLIDERS – Link to rate coefficients – Link to CDMS/JPL data (einstein coefficients, statistical weight)

11. Service for DALIA (very close to SLAP) ● Query Parameters – Frequency_min (instead of wavelength_min) – Frequency_max (instead of wavelength_max) – Chemical_element (SLAP non compulsory parameter) – Chemical_element_symmetry (specific to this service) ● Return list of transitions with: – chemicalelement_name, chemicalelement_symmetry – final_level_energy, einstein_coefficient, g_up – quantum_number_tag,id_chemical_element, – data_source, creation_date – Link to quantum numbers (URL) – Link to partition function values

12. VOTable answer

13. Generic Interface to Numerical Codes for Science Data Analysis and Modeling : the DALIA prototype Frédéric Boone (LERMA) Nicolas Moreau ( LERMA ) Peter Schilke (MPIfR) Dirk Muders (MPIfR) Marie-Lise Dubernet (LERMA)

14. ● New instruments: SMA, APEX, ALMA, Herschel – Great spatial and spectral dynamics – Modeling required to extract information ● Models not available – Not always public – Not easily accessible – Few of them in data reduction softwares Motivation

15. ● Models difficult to use – Need to learn a format or a language – Some models are complementary but implemented in different environments, e. g. : dynamics+chemistry+radiative transfer ● Common needs – Optimization loop to fit the model to the data with constraints and error estimation – Interactivity (control the model parameters) – Spectroscopic data --> query spectro databases

16. Objectives ● Providing a universal interface for all the modelisation codes – Implies the possibility to integrate a code to the tool ● Fitting models to data in order to interpret observations ● Providing a connection to spectroscopic databases – Spectroscopic parameters will be transmitted to numerical code

17. Concept Graphical User Interface model codes Observations spectroscopic data Best fit parameters with error bars Optimization engine Use existing formats and visualization tools (Specview) Define a standard Query existing databases Use existing algorithms

18. DALIA ● Main functionalities – Edit parameters of a model to create a first guess – Fit the model to the data (1D, 2D, 3D....) via optimization – Constrain the parameters – Include spectroscopic data from molecular databases – Allow to introduce any new model code (Fortran, C...) ● Implementation – GUI in JAVA – Description of models in XML following a schema – Interface GUI/models: ASCII for params and FITS for data – Visualization: Specview (spectra) Jimage (2d & 3d) (Direct Approach to Spectral LIne Analysis)

19. DALIA ● Create a model instance (first guess) DALIA ● Create a model instance (first guess)

20. DALIA ● Create a model instance of a galactic model GUI generated by the XML description of the model Choices

21. DALIA

22. Constant

23. DALIA XML file describing the model Pieces of C-code to be included in the model code to read input

24. Summary ● a concept: “wrapping rather than re- inventing” ● DALIA, JAVA interface with most of the functionalities soon complete ● Remains to include – use different models in line, e.g. Dynamics+Radiative Transfer --> interoperability, workflow ● Possible extensions – Association with computing resources: server (web service), parallel computing – Association with archive facilities (VO) for the data but also for the model codes and the model instances