Enhancing Scientific Experiment Management with ICAT: A Comprehensive Overview
This document provides an overview of the ICAT (Information Cataloguing and Tracking) system used at the STFC Rutherford Appleton Laboratory. It explains the process of proposal submission, application approval, experiment scheduling, and data management in structural science experiments. By implementing the Core Scientific Metadata Model (CSMD), ICAT streamlines the organization of proposal details, data analysis, and publication associations, enabling scientists to efficiently manage and access essential experimental data. Key aspects include metadata handling, software integration, and workflow management through the e-Science services infrastructure.
Enhancing Scientific Experiment Management with ICAT: A Comprehensive Overview
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Presentation Transcript
ICAT + Information Model Brian Matthews Scientific Information Group E-Science Centre STFC Rutherford Appleton Laboratory brian.matthews@stfc.ac.uk
Facilities Process Record Publication Proposal Approval Scheduling Data storage Subsequent publication registered with facility Experiment Data analysis Scientist submits application for beamtime Tools for processing made available Raw data filtered, and stored Facility committee approves application Scientists visits, facility run’s experiment Facility registers, trains, and schedules scientist’s visit
Core Scientific Metadata Model (CSMD) Topic Publication Keyword Authorisation Investigation Investigator Dataset Sample Sample Parameter Datafile Dataset Parameter Parameter The Core Metadata model forms the information model for ICAT. Designed to describe facilities based experiments in Structural Science. Related Datafile Datafile Parameter
ICAT Deployment User Database System Single Sign On Data Storage/ Delivery System Proposal System Publication System ICAT API e-Science Services RDBMS Software Repository Web Services API Command Line Tools Fortran C++ Java Glassfish / JBOSS
I2S2: Methodology Mapping across organisational infrastructures Home Institution Central Facility Example ISIS Proposal H2-(zeolite) vibrational frequencies vs polarising potential of cations B-lactoglobulin protein interfacial structure GEM – High intensity, high resolution neutron diffractometer 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 Publication Using ICAT you will also be able to associate publications to your experiment and even reference data from your publications. Analysed Data You will have the capability to upload any desired analysed data and associate it with your experiments.
Earth Sciences: typical workflow Martin Dove & Erica Yang
CSMD: an established starting point • 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 Topic Publication Keyword Authorisation Investigation Investigator Dataset Sample Sample Parameter Datafile Dataset Parameter Parameter Related Datafile Datafile Parameter
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
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
