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ICAT + Information Model
Brian Matthews
Scientific Information GroupE-Science Centre
STFC Rutherford Appleton Laboratory
Facilities Process
Proposal
Approval
SchedulingExperiment
Data storage
Record Publication
Scientist submits application for
beamtime
Facility committee approves application
Facility registers, trains, and schedules
scientist’s visit
Scientists visits, facility run’s experiment
Subsequent publication registered
with facility
Raw data filtered, and stored
Data analysis
Tools for processing made available
Investigation
Publication KeywordTopic
Sample Sample ParameterDataset
Dataset ParameterDatafile
Datafile Parameter
Investigator
Related DatafileRelated Datafile
Parameter
Authorisation
Core Scientific Metadata Model (CSMD)
The Core Metadata model forms the information model for ICAT.
Designed to describe facilities based experiments in Structural Science.
RDBMS
Web Services API
ICAT API
Command Line Tools
Glassfish / JBOSS
JavaC++Fortran
Data Storage/ Delivery System
Single Sign On
User Database System
Proposal System
Proposal System
Publication System
Publication System
e-Science Services
e-Science Services
Software RepositorySoftware
Repository
ICAT Deployment
I2S2: MethodologyMapping across organisational infrastructures
Proposals
Once awarded beamtime at ISIS, an entry will be created in ICAT that describes your proposed experiment.
Experiment
Data collected from your experiment will be indexed by ICAT (with additional experimental conditions) and made available to your experimental team
Analysed Data
You will have the capability to upload any desired analysed data and associate it with your experiments.
Publication
Using ICAT you will also be able to associate publications to your experiment and even reference data from your publications.
B-lactoglobulin protein interfacial structureE
xam
ple
IS
IS P
rop
osa
lGEM – High intensity, high
resolution neutron diffractometer
H2-(zeolite) vibrational frequencies vs polarising
potential of cations
Home Institution Central Facility
Earth Sciences: typical workflow
Martin Dove & Erica Yang
CSMD: an established starting point
Investigation
Publication KeywordTopic
Sample Sample ParameterDataset
Dataset ParameterDatafile
Datafile Parameter
Investigator
Related DatafileRelated Datafile
Parameter
Authorisation
• CSMD: Core Scientific MetaData model
• Designed to describe facilities based experiments in Structural Science
• Forms the information model for ICAT, a production data management infrastructure employed by STFC
• Forms the basis for extensions:- To derived data- To laboratory based science- To secondary analysis data- To preservation information- To publication data
CSMD- Core• A Core CSMD
– Taking out a lot of the facility specific stuff– A simple model of datasets
I2S2-IM : Core Layer
These are entities which are in the CSMD• extended with the software execution to accept relationships between data sets• Working with ORE-CHEM
Software execution
Model with Data Derivation• Extension to the model to add an alternative Investigation
activity type– Very straightforward natural extension to the model
• ICAT can be used almost without modification to record data derivation– Just another data generation activity