representing scientific databases online andrew markwick jodrell bank centre for astrophysics university of manchester, UK

motivation projects issues with online

design simple, intuitive maintain and distribute query by species, reaction provide reference data and history technology PHP/MySQL HTML, css, javascript

‘sfv2’ w/ JC

design interactive save repetition of work community-led and extensible technology PHP/MySQL HTML, css, javascript Flash, xml

‘spectral line catalogue’ on the shoulders of giants w/ A. Remijan

curl Splatalogue SLAP Service small description identifying the line the name of the line catalog this entry was drawn from the wavelength in the vacuum of the transition originating the line The molecular formula which may include notation of the common quantum state of the transition The molecular formula which may include notation of the common quantum state of the transition The type of molecular given as an integer identifier an integer flag indicating whether this record provides the recommended frequency for this line. The initial and final quantum number states that produces this line a description of the spectral line online is more than the web TM

JPL: CH2OHCOCH2OH v29=1 65(10,55)-65( 9,56) JPL CH2OHCOCH2OH v29=1 0 65(10,55)-65( 9,56) JPL: NH2CO2CH3 v=1 9( 4, 6)- 8( 3, 6) E JPL NH2CO2CH3 v=1 0 9( 4, 6)- 8( 3, 6) E JPL: NH2CO2CH3 v=1 9( 4, 6)- 8( 3, 6) E JPL NH2CO2CH3 v=1 0 9( 4, 6)- 8( 3, 6) E JPL: (CH3)2CO v=0 54(33,21)-54(32,22) EE JPL (CH3)2CO v= (33,21)-54(32,22) EE JPL: cis-CH2OHCHO v=1 14( 2,13)-14( 1,14) JPL cis-CH2OHCHO v=1 0 14( 2,13)-14( 1,14) JPL: C3H8 N/A JPL C3H8 0 N/A JPL: C3H8 N/A JPL C3H8 0 N/A JPL: NH2CO2CH3 v=1 23(20, 3)-24(19, 5) E JPL NH2CO2CH3 v=1 0 23(20, 3)-24(19, 5) E JPL: C3H8 N/A JPL C3H8 0 N/A JPL: NH2CO2CH3 v=1 23(20, 3)-24(19, 5) E JPL NH2CO2CH3 v=1 0 23(20, 3)-24(19, 5) E JPL: NH2CO2CH3 v=1 23(20, 3)-24(19, 5) E JPL NH2CO2CH3 v=1 0 23(20, 3)-24(19, 5) E JPL: C3H8 N/A JPL C3H8 0 N/A JPL: C2H5OOCH-trans 21( 9,12)-20( 9,11) JPL C2H5OOCH- trans 0 21( 9,12)-20( 9,11) JPL: C2H5OOCH-trans 21( 9,13)-20( 9,12) JPL C2H5OOCH- trans 0 21( 9,13)-20( 9,12) JPL: NH2CH2CH2OH v26=1 18( 4,14)-17( 5,13) JPL NH2CH2CH2OH v26=1 0 18( 4,14)-17( 5,13) CDMS: CO v=0 1-0 CDMS CO v= JPL: CO v=0 1-0 JPL CO v= Lovas/NIST: CO v=0 1-0 Lovas/NIST CO v= SLAIM: CO v= SLAIM CO v= CDMS: FeCO N=14-13, J= CDMS FeCO 0 N=14-13, J=13-12 CDMS: CH3CHNH2COOH - I 29(11,18)-29( 8,21) CDMS CH3CHNH2COOH - I 0 29(11,18)-29( 8,21) VOTABLE as in ‘Virtual Observatory’

ALMA Observing Tool ALMA, Chile, artist’s impression ALMA – the Atacama Large Millimetre Array

ALMA ‘OT’ – Observing Tool

design ALMA–OT – flat & queryable machine readable one-stop for astronomical spectroscopy update of (famous) Lovas list technology PHP/MySQL, xml

why go ‘online’? web is world’s #1 information source = visibility = accessibility and not just to your colleagues

use how is your data(base) used? usage can drive development examples

q. What is the most common molecule searched for in udfa? a. H 3 +

q. What is the most common molecule searched for that is not in udfa? a. glycine

q. Spectra from which molecules have been plotted the most times in sfv2? (i.e. since Feb. 2006) a. H 2 O, C 2 H 2, CO 2, TiO, HCN, …

use.. or you can let users drive content directly e.g. sfv2 requests usage may influence funding bodies

abuse users: will find errors and inconsistencies (but this is good) will misuse data and your service (so don’t expose yourself too much, and do have lots of validation) users rarely read documentation

idealism vs. practicality idealism where are you?practicality ‘standards’ beautiful, detailed, generic, unambiguous data model vs. what works for you and/or your user? [heresy] is xml best? just give people what they want

serve data machine readable custom format key / service

two worlds collide publishing in traditional print journals funding online is dynamic - how to reference?

issues online is lots of work (to do properly) you can’t just publish and forget (bizarrely) there is opposition

some ideas worth considering don’t expose your underlying data model (or at least be v. careful) limits some abuses protects against (your own) changes

some ideas worth considering be aware of technology you and your users depend on keep your own statistics give people what they want!