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Of Remote Beamlines, Micro-diffraction and HP Network Computing
VESPERS X ray Beamline Capabilities: Micro-diffraction/fluorescence User Base: Earth and Materials Scientists
Unique Features: simultaneous XRF/XRD, remote operation
November 2008
Canadian Light Source
Canadian NeutronBeam Centre
“Western”
Remote Access to some facilities makes sense in Canada!
Pros and Con’s of Remote Beamline Operation
Con’s• Few successful regularly working models • Present community of users is unconvinced• Difficult transition period
Pro’s•More flexible scheduling• Near real time processing of data• more information from data processing •All experimental and processing parameters retained
Original Requirements for Science Studio:
(1)Convenient control of all aspects of an X ray fluorescence (XRF) facility:
visible sample, easy sample manipulation, all functions visible, fast response
(latency), rapid download (60Mb/min), user- friendly data analysis offline.
(2) Similar control of Laue XRD facility (on same beamline), very rapid
download (8Mb/s), online data analysis.
(3) Control and download from of SEM/ EDX facilities at
Nanofab (UWO), running under proprietary software.
Challenges:
(1) Protection of source systems under all circumstances.
(2) Obey all user protocols established by the sources.
(3) Extend the software to develop new user paradigms (data sharing,
discussions, remote teaching sessions).
(4) Expandable
Network at present:
(1)XRF and XRD facilities at the VESPERS CLS beamline
connected to a Science Studio servers at SHARCNET
via 1G fibre linkage (XRD still in testing)
(2) SEM/ EDX facilities at Nanofab UWO
connected to the same servers via standard internet
(remote desktop).
(3) XRD facilities at beamline 12.3.2 at ALS (Berkeley)
connected via 10G fibre (to be established this summer)
Mind that data!
Image data files are massive!
• For 8M images one experiment produces 8-10G of data.
•Indexing and strain refinement take hours after the experiment using advanced desktop computers. •Running IDL –based software requires experience
XRF Spectral Processing using ”Peakaboo”
SRM 610: SXRF Spectra (linear) produced by 10% bandpass&white radiation
(a) 10% bandpasscentred at 22KV
(b) White radiation
Optical image of tailing sample
Elemental Mapping (150 u field) of a Uranium Mine Tailings using VESPERS XRF (Tom Kotzer)
11
Experimental setup for Laue at VESPERS
K-B Mirrors
CCD
X-ray beam direction
x
y CCD image coordinates
Laue micro diffraction characteristics at VESPERS (using the Beamline 34-ID slide)
X-ray beam size 2 micronExposure time 1s Readout time 1-4 sStep size 2 micron2000 x 2000pixelsSingle 45 deg geometryMirror to sample 7.5 cm
White beam
Sample
(a) X ray Fluorescence spectra and mapping
(b) Laue X ray Diffraction and strain mapping
Orientation Strain
Peak ID PeakFit
(d)Laue Phase mapping
Index
Library
Match MAP OF PHASES(limited for now)
XRF ImageXRD: orientation XRD:strain
Mind that data!
• As detector readout times are diminished, and beamsize decreases the processing logistics and time required becomes even less manageable
• Analysis of data during a run is impossible
•. Use of high speed data transfer to HP computing centres becomes attractive
Beamline Controls Interfaces
EPICS Tools Configuration Tool User GUI & ROOT
VESPERS Beamline
VESPERS — Very Sensitive Elemental and Structural Probe Employing Radiation from a Synchrotron
A new bending magnet beamline at the Canadian Light Source.
Techniques: X-Ray Fluorescence (XRF) & X-Ray Diffraction (XRD)
XRF has widespread use; XRD has great potential and enormous computing needs.
WebApplication
BeamlineControlModule
DBSANSAN
JMS CA
VESPERS
HTTP
Project Display
PROJECT DISPLAY (VESPERS)
VESPERS XRF –view after run
Beamline Hutch Cameras
Nanofab Integration Design
View of INCA Computer Screen and also SEM Computer View of Sample Image using Frame Grabber Hardware/Software
SEM computer sample image view
INCA Computer screen – EDX analysis software
Edit Proposal (Development)
Scheduling Workflow using the YAWL moduleIntegration of YAWL from Queensland University of Technology
(Development)
Science Studio Structures
ProcessingService
DataServiceData
ServiceProcessing
Service
ANISE
Business ModelLayer
PersistenceLayer
DeviceProxies
Client ServicesLayer
BrowserBrowser
LaboratoryControl Module
ServiceProxies
Science Studio
LabatoryControl Module
IOCs
Beamline
IOCs
Beamline
General, commonComponent
XRD Processing
XRF Processing
Science Studio specificComponent
Immediate Objectives• XRD and XRF scans to be downloaded to HP
computing facilities at UWO (SHARCNET) during the experiment.
• Near real time availability of micro strain and orientation information on materials
• Assessment of diffraction streaks to recognize dislocation families and directions.
26
Improvements in Transfer and Processing
Download of an 8M file by internet: 6 seconds/fileDownload of many 8M files by lightpath: 0.3
seconds/file
Processing of an 8M file by serial IDL: 12-15 seconds/file
Processing of many 8M files by C-Cell/XMAS: 0.6 seconds/file
30
Work Underway• XMAS software (BL 12.3.2 at ALS) rewritten
(at UWO) in C code with key computation steps parallelized (cell computing)
• Download service written (at CLS) for VESPERS XRD as part of the Science Studio project
• XRD User Interfaces for processing and outputs developed (at UWO)
• Parallel development of IBM Infostreams software
31
File Transfer and Processing
Neutron Spectrometry
Canadian Neutron Beam Centre •Renewal of operating software under review•Need for remote access to overcome security issues• Data processing speed is less important •Long experience with remote access •Involvement with Science Studio under review
Science Studio Current/Planned Installations
•Canadian Light Source•VESPERS (XRD and XRF)•Brockhouse•User Office Modules
•University of Western OntarioLEO 1540XB Scanning Electron Microscope (SEM)Oxford x-ray system controlled by INCA Software with WebVNC.
•Laboratório Nacional de Luz Síncrotron (LNLS Brazil)•XAF (Development)•Electron Microscrope (Development)•User Office Modules (Under Consideration)
•Advanced Light Source•12.3.2 XRD Data Analysis (Development)
An Opportunity for other Synchrotrons
We invite your participation in this projectWe welcome your collaboration.