ICAT + Information Model Brian Matthews Scientific Information Group E-Science Centre STFC Rutherford Appleton Laboratory [email protected].

ICAT + Information Model

Brian Matthews

Scientific Information GroupE-Science Centre

STFC Rutherford Appleton Laboratory

[email protected]

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