science studio: remote access to scientific experiments using a comprehensive management tool
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cience Studio
Science Studio: Remote Access to Scientific Experiments using a
Comprehensive Management Tool
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User Access to Synchrotrons
Who is the community that will use your platform?
Synchrotrons are electron storage rings that emit high intensity photons that are used for experiments by a large scientific community (tens of thousands worldwide).
Access is normally granted for single periods of 1-3 days in a half-year cycle.
What couldn’t your community do without the platform?
Physical distances and episodic access prevent rapid scientific progress and limit scientific collaboration.
Why was that a problem or limitation? Governments worldwide have invested >$2B in these facilities,
yet the scientific outcomes could be optimised.
User Access to Synchrotrons
What middleware was needed to resolve the limitations? Workflow management Engine for the User Office Web Portal for remote data access (during and post
experiment) Enterprise Service Bus and SOA to integrate internal and
external data analysis services How do your plans meet the needs
Users will have frequent remote access to the VESPERS beamline at the Canadian Light Source under conditions where many collaborators can participate in the experiment.
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Science Studio serves three purposes:
Management of all aspects of a scientific experiment including data storage, collaboration with others, processing of data;
Control of, or interaction with, remote experiments on the CLSI VESPERS Beamline and UWO Nanofabrication Laboratory and
User Services (sample management, scheduling, peer review, user training)
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Team: People and Orgs
Remote Control
User Services
System Deployment
Integration
System Architecture
System Requirements
Testing
Data Analysis/Grid Computing
User Office Software
Scientific Workflow Engines
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Team: People and Orgs
Dionisio Medrano
Dylan Maxwell
Daron Chabot
Elder Matias
Chris Armstrong
John Haley
Mike Bauer
Stewart McIntyre
Marina Suominen Fuller
Jinhui Qin
Nathaniel Sherry
Yuhong Yan
Zahid Anwar
Ludeng (Eric) Zhao
Dan Ni
Yaofeng Xu
System Architecture
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
1. VESPERS Beamline2. EPICS control system3. Beamline Control Module (BCM)4. Web Application5. Database6. File Storage7. Web Interface
VESPERS Beamline
VESPERS — Very Sensitive Elemental and Structural Probe Employing Radiation from a Synchrotron
A bending magnet beamline on sector 6 at the Canadian Light Source synchrotron in Saskatoon, Saskatchewan.
A hard x-ray microprobe with an energy range of 6 to 30keV.
Techniques: X-Ray Fluorescence (XRF) & X-Ray Diffraction (XRD)
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
VESPERS Endstation
CCD Detector (XRD)
Microscope
MCA Detector (XRF)Sample
EPICS Low-level Control System
EPICS — Experimental Physics and Industrial Control System
The standard control system at the CLS.
EPICS consists of a network of Input-Output Controls (IOCs) which are connected to directly to devices.
An IOC provides many Process Variables (PVs) which relate to either an input or output from a device and have a unique name.
Channel Access (CA) is used to read or write to any PV without knowing which IOC provides the PV.
More than 50,000 PVs in the CLS control system.
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
Beamline Control Module (BCM)
The BCM provides a high-level interface to the low-level control system (EPICS).
Logical and physical separation of business logic and control logic.
Virtual device abstraction that provides independence from low-level control system.
Virtual devices can be logically organized into a device hierarchy.
Basic devices can be combined to build more functional devices.
Communication with external applications using two message queues (ActiveMQ).
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
Web Application
A J2EE Servlet application that provides a web-based interface Science Studio.
Tools: Spring (MVC), iBATIS (ORM), JSecurity (Apache Ki), Apache Tomcat
Divided into two parts: the Core application and the VESPERS beamline application.
Core application is responsible for providing access to the business objects.
VESPERS application is responsible for remote control of the VESPERS beamline.
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
Database
Metadata associated with the operation of a remote controlled beamline and the organization of experimental data collected on that beamline.
A project is the top level organizational unit and is associated with a project team.
A session defines a period of time allocated to a project team to conduct experiments.
An experiment relates a sample and the technique being applied to that sample.
A scan records the location of the acquired experimental data.
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
Database Schema
person
project_person
project_role
project
session
laboratory
sample experiment scan
techniqueinstrument
Instrument_technque
facility
Experimental Data Storage
Experimental data is stored at the CLS.
Common directory structure shared with other beamlines. A large data storage facility is now operational at the
University of Saskatchewan as part of WestGrid.
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
VESPERS Web Interface
Rich web interface to Science Studio and the VESPERS beamline.
Designed to be used over commodity broadband internet.
Developed for the Firefox web browser without any additional plugins or extensions.
Known to work with other browsers, but requires the Canvas HTML tag.
AJAX is used for the VESPERS interface to provide device values in pseudo real time.
ExtJS, a JavaScript framework, provides many advanced GUI elements.
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
Beamline Setup
Experiment Setup
XRF (X-Ray Fluorescence)
Beamline Hutch Cameras
Experimental Data Viewer
X-Ray Fluorescence (XRF): Reveals Elemental Composition Characteristic Element Lines Selected and Mapped Over a 2D Scan Area
S: Kα Cr: Kα & Cr: Kβ Fe: Kα & Fe: Kβ Ni: Kα & Ni: Kβ
2D Maps Generated for Selected Elemental Lines
X-Ray Diffraction (XRD): Reveals Structural Information Peak Fitting and Indexing of Image Set to Create a Grain Orientation Map
Peak Search
Old IDL Programme – Matched Peak
Old IDL Programme – Matched Peak
New C Programme – Matched Peak
New C Programme – Expected Peak
The XRD Indexing programme examines the locations of peaks in an image in order to determine the kind of lattice structure the samples constituent atoms are arranged in. Shown here are the results of an older indexing programme written in IDL, and the new indexing programme, written in C. The new indexing programme is proving to be more versatile, and more reliable than the old programme, often indexing sets of data that the old programme failed with.
Grain Orientations
Indexing Process
User Office Workflow
Goal: Many tasks in proposal & sample management at CLS To develop a workflow management system that
manages ordering of tasks e.g. (training before shipping) Tracks manual as well as SS task progression
Mar6-month cycle
CLS call for proposals
Proposal submissionTo CLS
CLS gathers proposals
CLS reviews proposals
CLS grants scientistBeamline time
cientist packs sample
I wonder if CLS
received my sample
yet?
Scientist must complete Online SS training
CLS health & safetyinspection
Many other tasks• Perform Experiment• Return Sample• Take Survey• …
User office Workflow Status Workflow Management Engine
Beamline User
User Office
Task :Training
Completed
Notify
Approved Notify
PersistentStore
Record Progress
Features Open source Petri-nets based Direct support for workflow control
flow patterns Ability to interact with web
services declared in WSDL Relies on XML standards e.g. XPath
and XQuery for data & doesn’t use proprietary languages
Architecture System Core: YAWL engine. Engine instantiates specifications
designed using YAWL designer. managed by the YAWL repository
Environment composed of YAWL services inspired by “web services”
paradigm, end-users, applications, and
organizations are all services in YAWL.
Screenshot: User Training Test Creation
Screenshot: User Survey Taking Page
Screenshot: User Survey Edit Page
Screenshot: Workflow Sample Management
Screenshot: Workflow Call for Proposals
User Office Workflow Example
Prototype Implementation1. CLS issues a call for proposals and gives deadline2. Beamline users submit proposals3. User Office administrator ends registration or extends deadline4. User Office administrator assigns proposals to user office reviewers5. Reviewers look at proposals and rank them6. User Office looks at ranking and chooses the proposals to accept7. Accepted proposals contact persons are notified8. Beamline User completes training (web service)9. After training is completed (simulated by a delay) the CLS is notified
Scheduling Module
Goal: To automate the review process and the method by which beam time is allocated and scheduled to users depending on the access mechanism chosen by the user and the stage of operation (construction, commissioning or
operation) of the beamline. Side effects:
Facilitate the management of cycles, runs and modes of operation
Use automatic scheduling to handle more scheduling conditions and constraints than human beings are able to handle manually and identify optimal solutions.
Scheduling Module Features
Users Submit proposals
Integer Programming and
Heuristic Algorithm
Schedule
INPUT:
SEARCH ANDCONSTRAINTSATISFIABILITY:
OUTPUT:
Beamlines 2
Experiments 3
Release Times [1,1,2]
Deadlines [8,15,5]
Weights [4,5,1]
Processing Times [10,4,3]
Eligibility [[0,1,0],[1,0,1]]
CONSTRAINTS1. One beamline per experiment2. Start time after release time3. Only eligible beamlines can be selected..7. No overlap of experiment per beamline
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Comparison to Current State of the ArtUser Access to Synchrotrons
Synchrotrons access is normally granted for single periods of 1-3 days in a half-year cycle. But…
Episodic access requires careful pooling of samples
Little or no time for analysis of data during the experimental access.
“Reprise” experiments difficult to schedule
Travel is expensive and inconvenient
User control and records of experiments at the site is sometimes limited.
The network would encourage common data formats and protocols leading to closer collaboration
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Next Steps
Access to VESPERS /XRF2.0 available to UWO users by Fall 2009.
User training module in use at CLS by July 2009
VESPERS/Diffraction 1.0 available by UWO Feb 2010
All user scheduling in place by April 2010
VESPERS available to internet users end of 2010