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Remote Internet Access to Advanced Analytical Facilities: A New Approach with Web-Based Services N. Sherry, J. Qin, M. Suominen Fuller, Y. Xie, O. Mola, M. Bauer, and N. S. McIntyre* Faculty of Science, The University of Western Ontario, London, ON N6A 5B7, Canada
D. Maxwell, D. Liu, and E. Matias Canadian Light Source, University of Saskatchewan, Saskatoon SK S4P 4E4, Canada
C. Armstrong IBM Canada, Ottawa, ON, Canada ABSTRACT: Over the past decade, the increasing availability of the World Wide Web has held out the possibility that the efficiency of scientific measurements could be enhanced in cases where experiments were being conducted at distant facilities. Examples of early successes have included X-ray diffraction (XRD) experimental measurements of protein crystal structures at synchrotrons and access to scanning electron microscopy (SEM) and NMR facilities by users from institutions that do not possess such advanced capabilities. Experimental control, visual contact, and receipt of results has used some form of X forwarding and/or VNC (virtual network computing) software that transfers the screen image of a server at the experimental site to that of the users’ home site. A more recent development is a web services platform called Science Studio that provides teams of scientists with secure links to experiments at one or more advanced research facilities. The software provides a widely distributed team with a set of controls and screens to operate, observe, and record essential parts of the experiment. As well, Science Studio provides high speed network access to computing resources to process the large data sets that are often involved in complex experiments. The simple web browser and the rapid transfer of experimental data to a processing site allow efficient use of the facility and assist decision making during the acquisition of the experimental results. The software provides users with a comprehensive overview and record of all parts of the experimental process. A prototype network is described involving X-ray beamlines at two different synchrotrons and an SEM facility. An online parallel processing facility has been developed that analyzes the data in near-real time using stream processing. Science Studio and can be expanded to include many other analytical applications, providing teams of users with rapid access to processed results along with the means for detailed discussion of their significance.
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harnessed to assist user teams to digest their data as they work and sometimes to access the facility from their own laboratory. Almost a decade ago, the first remote access synchrotron experiments were begun by users of an X-ray diffraction beamline for protein crystallographic (PX) studies at the Stanford Synchrotron Radiation Laboratory using control software called Blu Ice that is connected to remote users through NoMachine NX software installed on the users’ server.1,2 This secure software permits users to run other types of sophisticated beamline control software such as MxCuBE3 that can also control other types of beamline experiments such as X-ray absorption spectroscopy (XAS) or X-ray fluorescence (XRF). NX uses a combination of X forwarding, a Unix specific
he development of national or regional centers for chemical and physical analysis has allowed governments to concentrate limited resources into poles of technical and scientific expertise serving a broad community of users. Access to such centers is normally limited: experimenters are therefore under some pressure to concentrate their efforts. Synchrotrons are one example of this; these facilities provide experimenters with a wide variety of diffraction, spectroscopic, and imaging conditions not available elsewhere. Alongside the advantages of synchrotrons come the requirements to travel to a facility that is sometimes distant and to shoehorn many experiments into a limited time, without the ability to digest what has been produced. So much data is often produced that detailed analysis consumes many weeks after experiments are finished. While little can be done about the restricted access of users to synchrotrons any time soon because many beamlines have long waiting lists, the efficiencies inherent in the Internet can be © 2012 American Chemical Society
Received: February 29, 2012 Accepted: August 15, 2012 Published: August 15, 2012 7283
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Table 1. Comparisons of Science Studio (Web Services) Software and Remote Access Software Using X Forwarding and Virtual Network Computing Science Studio remote control of equipment equipment access limited to session times bandwidth requirements user interface latency must share whole screen share control with others
yes yes
cross-facility project and data management reuse existing tools and programs adaptable to tablets, phones, etc. software required on user’s computer restrictions on host/server computer access to collected data secure connection
X Forwarding
VNC yes only if remote software has that capability high high yes users share access to one desktop
yes
yes only if remote software has that capability high very high no only if remote software has that capability no
VNC and new web-based interfaces new interfaces use the same web services web browser no yes yes
Unix/Linux tools only applications remain desktop-oriented X-Server (included with Unix/Linux) requires *nix OS through separate tools: ftp, sftp, etc. yes
integrated on-the-fly data processing
for supported applications
future-proof technology
yes
mature technology
new application built on mature technologies yes
only if remote software has that capability Wayland to replace X-Server in several years yes
one person at a time per VNC server applications remain desktop-oriented VNC client no through separate tools: ftp, sftp, etc. only clients like NX or by using SSH/ VPN only if remote software has that capability yes
open source for collaborative development
low low no users take turns
only if remote software is open source
software for secure remote viewing of graphics, and VNC (virtual network computing) that transfers the screen contents of the host server to the user and then transfers keyboard and mouse messages back to that server. Control and visualization is thus accomplished along with uploading of data to the user server, sometimes with the participation of multiple user sites. NX software is now being used on beamlines at several synchrotrons as well in many other applications.4Recently, a European organization, BioStruct-X, has been inaugurated to provide remote access to biologists to many beamlines across the continent for studies in PX, small angle scattering, and Xray imaging, as well as crystal preparation facilities.5 Other advanced analytical facilities have profited from the same type of remote access software. Probably, the most prevalent applications have been for access to scanning electron microscopy, scanning probe microscopy, nuclear magnetic resonance, and astronomy laboratories by students in high schools, colleges, and universities who do not have such capabilities available. Many advanced analytical laboratories in major US and foreign universities offer remote access sessions to students in smaller schools.6 Most use variants of VNC to transfer commands and images and other data collected during a session. In most cases, only a point-to-point connection between a remote user and the analytical facility is used. Recently, another type of software platform, Science Studio, has been developed that harnesses web-based services to control remote experimental facilities and to collect and process data from these experiments. Science Studio links experiments underway at major science centers with many collaborating team members across the world using only a web browser. As well, complex information from these experiments can be moved in real time to major computational centers for processing and viewing using a high speed network. At any time, individual scientists can access their experimental records at all centers (sites) as well as transfer or process their data. A
no
yes only if remote software is open source
prototype version of Science Studio has been created involving experiments at two beamlines in different synchrotrons and an ion beam/scanning microscopy facility. The software is open source and is available for download from the Science Studio Web site http://sciencestudioproject.com/. There are a number of differences between the structure and performance of this web services software and the earlier X forwarding and/or VNC software packages. These differences, outlined in Table 1, stem from the web-based tools (HTML, REST Services) on which Science Studio is built. These tools allow Science Studio to securely expose experimental data and project-related metadata to a web-based interface on the user’s computer, rather than simply transmitting images of a computer screen. The result is a system which can manage projects and data at a much broader scale than previous remote access technologies while making the interaction with the remote system more streamlined, natural, and easily adaptable to the user’s computer, tablet, or other device. The synchrotron-based experiments linked to the users by Science Studio involve the observation, measurement, and control of microscopic X-ray fluorescence (XRF) spectroscopy and Laue X-ray diffraction (XRD) experiments. As well, the remote user is able to access a scanning electron microscopy (SEM) lab to acquire images and energy dispersive X-ray (EDX) spectra. The data from each experiment can be moved rapidly and securely via a fiber optic “lightpath” to a cloud-like site where it can be processed by advanced computational techniques. This article first describes the appearance of the software to a typical user not specialized in computer science and then provides some details on the architecture of individual components, as well as the network messaging software that integrates individual Science Studio experimental sites. The prototype sites chosen for this study have involved synchrotron experiments where large quantities of data are produced and considerable processing of that data is required. 7284
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Figure 1. Screenshot of the second level XRF page for the VESPERS beamline, showing, from left to right, information on the scan progress and calibration, optical image of the sample showing the region position of the scan, and the most recent point, scan stepping parameters.
in understanding of the experiment is reduced, and the efficiency of the limited synchrotron time available is increased. While Science Studio appears to be an integral component of the user’s web browser, the system is isolated from the World Wide Web by encryption and dedicated academic lightpaths. As well, users must still be registered with the science facility where their experiments have been conducted. Figure 1 shows one of the experimental screens available to the users during remote collection of XRF spectra. This one allows the users to choose the exact dimensions of an XRF map and the size of the step in the raster scan along with the dwell time. The image of the sample is constantly refreshed, and the progress of the beam within the scan region is marked by a moving spot. Other screens available show details of the photon beam intensity and each individual XRF spectrum. Parameters such as the position, XRF count rate, % dead time, and incident beam count rate are displayed and stored, along with each spectral scan. Video and audio communication between users and the beamline scientist is facilitated by the availability of Skype and Googletalk services on the page. Moreover, a social network page is available that allows members of the user team to share results with a wider circle of colleagues. The other capability provided by the VESPERS beamline at CLS is polychromatic X-ray microscopy (PXM). Laue diffraction is produced by polychromatic X-rays back-reflected from a sample. PXM is most profitably used to compare a result for an unknown sample with that for a perfect crystal of the same structure. Thus, small changes to the atom placement due to differing types of mechanical strains can be measured.8 PXM uses a micrometer size beam of polychromatic X-rays to produce a Laue diffraction pattern for each micrometer area
Science Studio as a concept is thus an attractive option for data management that provides group access to an experiment and data processing; as well, Science Studio provides a secure and accountable record of all scientific data from collection to a finished product.
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REMOTE EXPERIMENTATION BY XRF AND XRD USING SCIENCE STUDIO The VESPERS beamline at the Canadian Light Source7 provides the user with capabilities to acquire XRF and XRD maps of materials using a polychromatic microfocused X-ray beam. XRF maps are acquired by rastering the sample in this beam using a mechanical stage; the fluorescent X-rays are captured by a silicon drift diode (SDD) detector at each point in the raster. The energy dispersed XRF spectrum from the SDD detector is analyzed to provide a measurement of the elemental composition at each such point. Thus, spatial distributions of chemical elements within the material can be provided to the user. The individual spectra comprise 5−10 KB, and XRF maps may consist of 50 000 or more spectral points. Science Studio software was developed to allow a user (and team) to control many aspects of the XRF experiment while physically present either at the VESPERS beamline or from a remote desktop or hand-held device with no software aside from the web browser. As the XRF map is being collected, the completed portion of the map can be uploaded for analysis. Thus, the user team will have a rapid assessment of the worth of the particular experiment, and this can allow the experiment to proceed or to be terminated. Large numbers of authenticated individual users can participate and can upload the same data. Control may be passed from one user to another. Thus, any lag 7285
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Figure 2. Screenshot of the third level XRD page for the VESPERS beamline. Level one and two screens are common to XRF and XRD functions. From left to right are shown a panel indicating the CCD settings used for the particular CCD image, the image being acquired, and information concerning the entire sequence of images being collected to form an XRD map.
Figure 3. Screenshot of the management page for acquisition of remote SEM and EDX data from the Nanofabrication laboratory facility at the University of Western Ontario.
irradiated by the beam. The X-ray diffraction pattern for each micrometer area can be analyzed to produce a map showing different types of strain present in the sample, thus providing information on the local residual elastic strain directions. As well, the local mis-orientation of the sample crystal can provide information on plastic strain. Direction and shapes of the diffraction spots can also be analyzed to indicate the extent and
direction of slip systems, dislocation density, and the presence of dislocation walls. The X-ray beam and geometry used for PXM are the same as for XRF; the diffraction pattern produced from the interaction of beam and sample is collected on a charge coupled device (CCD) detector located a few centimeters above the sample. Just as in the case of an XRF map, an XRD map is collected by 7286
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Figure 4. Steps involved in the transfer and processing of data located anywhere in the Science Studio platform to a processing center located presently at University of Western Ontario.
mechanically rastering the sample in a pattern. However, the difference is that the CCD detector collects an image of 4−8 MB at each point, thus providing a much larger data set to analyze. Further, the analysis process itself is vastly more complex, particularly if accurate strain information is to be obtained. Laue XRD patterns are able to be collected remotely using Science Studio software. Users gain access to the VESPERS beamline using the same pages as for XRF. The XRD tab is selected, and a screen similar to that in Figure 1 assists the users to set the region of the raster pattern, as well as step and dwell times. Detailed setup and monitoring of the XRD pattern collection conditions are done on the screen shown in Figure 2. On the left, the “binning” or number of pixels to be used is
selected, while on the right the exposure time is selected and the number of exposures taken is monitored. The diffraction images are displayed as they are collected on the screen in the center. The users may choose to send the XRD data immediately for analysis at the computation site or have it held for transmission at a later time. Laue XRD patterns are also collected for analysis from a site at Beamline 12.3.2. at the Advanced Light Source (ALS). However, in this case, no controls of the beamline are available to remote users, but data may be transferred to the processing site either during acquisition or at the completion of a run. Safety aspects of remote access software have been important since synchrotron facilities are controlled access areas for radiation protection. No remote operation is allowed to control 7287
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Figure 5. High level software schematic of the Science Studio network.
software is not compatible with Science Studio directly, so a VNC connection is embedded in Science Studio to allow remote control of it. Figure 3 shows a screenshot of a remote session at the nanofabrication laboratory with both SEM and EDX data displayed.
the X-ray beam itself, including any shutters to turn it on or off. No change in this policy is expected in the future.
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REMOTE EXPERIMENTATION BY SEM AND EDX USING THE Nanofab LAB The Nanofabrication Laboratory at the University of Western Ontario has an advanced ion beam facility for preparation of nanoscale materials. A Science Studio site has been established to allow a remote user to acquire and save images from a LEO scanning electron microscope (SEM) with the assistance of an operator. As well, the remote users may select regions for analysis by energy dispersive X-ray (EDX) analysis that operates using LINK software. The remote Science Studio user is able to work through this latter software to acquire and save EDX spectra from regions chosen by the user. This LINK
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TRANSFER AND PROCESSING OF XRF AND XRD DATA XRF mapping data is sufficiently compact that it can be analyzed using desktop software available from several different sources. This group has produced one comprehensive XRF analysis package called “Peakaboo” that is available for download from the Science Studio Web site. The analysis of Laue diffraction maps of any significant size by a desktop computer is much less practical. Thus, analysis of 7288
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XRD map patterns has been integrated into the Science Studio platform and the computation center, located at the University of Western Ontario, functioning as a cloud-like stream processing service to all other sites in the network. The computation service can process several sets arriving from multiple sites simultaneously. The Laue XRD analysis software called “FOXMAS” (fast online X-ray analysis software) first locates the approximate position of the most intense spots in each CCD image. Then, the geometric center of the spot is determined as well as its shape. Finally, the spot centers are indexed according to crystallographic data that is provided by the user. Earlier versions were developed by Larson and co-workers9 and Kunz et al.10 FOXMAS is deployed on a parallel streaming platform called InfoSphere Streams, an IBM product.11,12 The use of stream processing enables major changes to be made to the software and to the processing speed without major rewrites of the software itself. The speed of processing using the stream processing platform is over 60 times faster than on a standalone desktop, even after accounting for the transfer of data via lightpath. This means that a Laue XRD map previously requiring days of processing time by a modern desktop would only require a couple hours to be processed by FOXMAS, thus allowing further refinements to be made using alternate parameter settings.13 The steps involved in data transfer and computation from submission of a request to the final Laue map are shown schematically in Figure 4.
Figure 6. Schematic of the services used by Science Studio for remote access and control of parts of the VESPERS beamline at the Canadian Light Source.
updated. An event-driven architecture is required due to the timeliness (“near real-time”) requirements of Science Studio. A business object layer provides the logic between the user interface and services provided. One part contains user services that provide the mechanism to create, retrieve, and modify metadata relating to experiments. A second part, experiment management, sets up experiments and reviews their results. Finally, a device management part provides access to the actual control devices that are used in the experiment.
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BEAMLINE CONTROL SOFTWARE The web application uses an interface programmed by Java software to provide a web-based user interface to users of Science Studio. Libraries such as Spring and Apache provide specific functions such as inversion of control and data access. At the VESPERS, beamline individual functions (valves, motors, scalers, etc.) are controlled by EPICS (Experimental Physics and Industrial Control System) software. Science Studio communicates with EPICS through a Beamline Control Module using Java. This module approach facilitates the future adaptation of Science Studio to other experimental devices. The Science Studio database contains parameter information associated with each experiment (metadata) as well as the actual data collected.
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SCIENCE STUDIO SOFTWARE DESCRIPTION Science Studio is a distributed system that provides the end user with a common interface to the devices and analysis programs they need to run scientific experiments. The user interface (UI) is run from a standard web browser, and it communicates with the beamline services and applications over HTTP. To an outside user, this distributive application looks like one application, even though the data may be coming from different databases and the devices are located in different facilities. Science Studio is built on a service-oriented architecture (SOA) framework where business functions are treated as services. Figure 5 provides a high level overview of how the main services have been organized and how Science Studio and the Complex Devices interact with the data processing elements that are being developed as a part of the Science Studio project. Access to Science Studio by most users is through a browser to a common portal at the University of Western Ontario. This portal handles the presentation services (client services) for all services regardless of where they are located. The services can reside on application servers on multiple nodes. The portal enables researchers from any location to access Science Studio facilities via the Internet. However, Science Studio software also allows each site to be accessed directly though its own web address. In this way, user access is less likely to be compromised by a service failure at the hub. Figure 6 provides a more detailed view of the services within Science Studio. The client services layer provides the server component presentation layer, the services managing the user’s interaction with the system. Unlike traditional web applications, the interface is event-driven; i.e., once the browser interface is initialized, it receives periodic messages from the UI services component indicating which sections of the interface are to be
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PROCESSING MANAGEMENT SOFTWARE The core application includes components for remote control of experimental equipment, project and session management, and distributed data access. This is deployed at each facility to allow it to operate even if the Science Studio hub at the University of Western Ontario is temporarily unavailable. A REST interface is used to allow all authenticated users to search for their data and data shared with them, across all Science Studio sites. All sites are only connected through an Enterprise Service Bus through which all queries and responses are passed. Actual transfer of data occurs using an IBM version of MQ (Message Queuing) software. This software enables the virtually simultaneous transfer of data from multiple sources in the world to the Science Studio hub and the subsequent processing of these files, either in near real time as is being collected or in batch mode sometime after collection is completed. To be efficient, it was essential that a messaging/ queuing function operate seamlessly with the version of InfoSphere Streams being used for processing, as well as with the Science Studio software at each site. The FOXMAS online XRD software uses IBM’s Infosphere Streams 2.0 running on Redhat 5.4 to process Laue XRD data in parallel streams working on a bank of servers containing as many as 75 “workers” on 10 blades. Some cache storage is 7289
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high bandwidth networks are used. User groups have found it difficult to navigate the tree structure when joining a session, and this part of the software is still being simplified.. As well, it has still been burdensome to arrange for the level of constant beamline support that is necessary with remote users. Thus, the perfection of remote control protocols on the VESPERS facility is probably better done using an on-site representative of an experimental team, with the eventual goal of a service that can interact with at least some remote teams without the need of an intermediary. Our objective for the next year is to refine the VESPERS Science Studio software for XRF using 1 to 2 teams of international users. Use of the remote service at the nanofabrication laboratory is also in a very early stage with one constant user group. In some respects, this service should be easier to promulgate because of the less formal scheduling requirements than on synchrotrons. The processing service, in contrast, has fewer strictures and is now being tested by selected groups at CLS and ALS. We plan to expand the test user groups for the XRD Science Studio software at ALS over the next year. After that, additional PXM facilities might be added. The longer term sustainability of Science Studio remains to be settled. An ideal arrangement would involve an international collaboration with the major facilities involved playing key roles.
available on discs to allow short-term retention of data that is being reprocessed frequently. Otherwise, raw data is not retained at the processing site, only the results of the processing that can be downloaded to the users’ sites. InfoSphere Streams is integrated with MQ to allow processing of data coming from more than one site. The Java/Javascript-based UI provides a variety of processing options to a typical user of the Laue XRD Beamline (12.3.2) at ALS, as well as at the VESPERS beamline at CLS. The software currently processes XRD data from Princeton CCD, Mar 133, and Decris Pilatus 1 M pixel array detectors. Process XRD also has an online mapping service displaying maps such as orientation, elastic strain tensors, composite (von Mises) strains, and diffraction spot ellipticity.11,12 All Science Studio sites are linked by networks CANARIE in Canada and ESNET in the US where a 10G lightpath is the normal mode of operation. At present, where only one processing job is in the queue, the processing speed is limited by the speed of the processors. An upgrade to a 100G link is planned for the next year in advance of anticipated multiple job queues along with an increase in the number of processing blades for the parallel stream processing service. Peakaboo, the analysis program for XRF spectral data, is downloadable from The Science Studio Web site. Peakaboo is written in Java and runs as a cross-platform desktop application. It allows users to identify the spectral origins of XRF data using a routine that fits all components of the spectrum, including escape peaks and pileup peaks, and then plots their spatial intensity distributions as maps. It has support for several data formats and includes filters to clean up or otherwise manipulate data. More interested users can easily add their own filters and data formats using Peakaboo’s plug in system.
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CONCLUSIONS
The Science Studio project was configured to provide some significant improvements in speed, latency, security, and accountability in the experimental process. As well, it offers users open source software that can be readily modified and expanded. Many applications of remote analytical science have already been demonstrated using X forwarding and VNC, and these methods will see continued use, particularly in applications that have been “hardened” to provide reliable and efficient service. For its part, Science Studio still requires extensive testing in a variety of user settings to remove inefficiencies in its present form, but there can be little doubt that the network structure will bear significant expansion to include other sites and techniques in collaboration with a community of users. The project has integrated X-ray diffraction (XRD) data processing into Science Studio in such a way that users can gain rapid access to sophisticated processing services from their desktop with relatively minor advanced preparation. This process mimics that of commercial cloud services; however, the Science Studio network provides an additional powerful benefit: data transfer costs are substantially lower since the network is an academic one and no external storage of data is required. Of prime importance is the appearance of the processed result at the users’ desktop within seconds of the event, thus facilitating decisions on the course of the next experiment. It would be possible to apply the Science Studio infrastructure developed here to other types of complex computations on time-sensitive data. Such a service would best reside at a site where the software and its outcomes are best understood. The stream computing technology is readily expandable to accommodate improved processors without any major changes to the software. This type of computation service becomes costeffective as an increasing number of users of synchrotron facilities are requiring computing power that will keep pace with the increasing output of new detectors.
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AUTHENTICATION Authentication of users is particularly important since their identity must be verified by every site that they have used. The Central Authentication Service (CAS) is a single sign-on protocol for the web which allows a user to access multiple applications while providing their credentials (such as user identification and password) only once. It also allows web applications to authenticate users without gaining access to a user’s security credentials, such as a password. CAS allows a user to access multiple resources available on different facilities (e.g., UWO, CLS, etc) by entering the credentials only once at the first entry point. For example, a user can login to the Science Studio deployment at CLS, and when he/she wishes to use process XRD web application at UWO, access will automatically be authorized without the necessity of re-entering credentials.
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PROJECT OUTCOMES The functionality of each section has been tested by our team as it was developed using live sessions. Most parts of the software have also been exposed to a limited extent to selected external users. The Science Studio software for external control of XRF functions of the VESPERS beamline has been tested by several groups who suggested numerous improvements that were incorporated in the screens in Figures 1−3. Tests included user groups as far away as Australia and Brazil and as many as six separate locations. The operation of this part of Science Studio is robust, and the latency factor is excellent for most controls. No delay in response (latency) is apparent as long as 7290
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NOTE ADDED AFTER ASAP PUBLICATION This paper was published on the Web on August 23, 2012. Accession dates were added for some of the references, and the corrected version was reposted on August 24, 2012.
As an end-to-end service, the value of Science Studio as a means for the protection of data integrity cannot be overemphasized. It is possible for a scientific team to demonstrate the provenance of all data sources, the calculations and assumptions used in any computation, and the access that all team members have had to the refinement of the output. Thus, this may prove to be a major strength to the use of Science Studio in commercial applications of major science resources.
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AUTHOR INFORMATION
Corresponding Author
*E-mail:
[email protected]. Notes
The authors declare no competing financial interest.
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ACKNOWLEDGMENTS The authors gratefully acknowledge the major contributions from CANARIE to this work, including funding and useful guidance and suggestions for this program. Additional support has come from Canadian Light Source, CANARIE, University of Western Ontario, Canadian Foundation for Innovation, and the Natural Sciences and Engineering Research Council. IBM is thanked for the provision of software and for the advice and assistance from A. Biem of IBM Research (Yorktown Heights) and K. Subtratee (Markham). Dr. Nobu Tamura of Advanced Light Source (Lawrence Berkeley Laboratory) is thanked for extensive collaboration in the development of FOXMAS. Lawrence Berkeley Laboratory and ESNET are thanked for assistance in establishing long term lightpath linkages.
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REFERENCES
(1) Gabadinho, J.; Hall, D.; Leonard, G; Gordon, E.; Monaco, S.; Thibault, X. Synchrotron Radiat. News 2008, 21, 24. (2) Smith, C. A.; Card, G. L.; Cohen, A. E.; Duhkov, Eriksson, T.; Gonzalez, A. M.; McPhillips, S. E.; Dunton, P. W.; Mathews, I. I.; Song, J.; Soltis, S. M. J. Appl. Crystallogr. 2010, 43, 1261. (3) Gabadinho, J.; et al. J. Synchrotron Radiat. 2010, 17, 700. (4) See www.nomachine.com (Accessed August 22, 2012). (5) See www.biostruct-x.eu (Accessed August 23, 2012). (6) See, for example: www.emtrix.dbs.umt.edu (Accessed via Bing August 23, 2012); www.lehigh.edu/microscopy (Accessed via Bing August 23, 2012) (SEM access); http//:nmr.mgh.harvard.edu/ martinos/userInfo/computer/remoteAccess/ (NMR access). (7) McIntyre, N. S.; Sherry, N.; Suominen Fuller, M.; Feng, R.; Kotzer, T. J. Anal. At. Spectrom. 2010, 25, 1381. (8) Chung, J. S.; Ice, G. E. J. Appl. Phys. 1999, 86, 5249. (9) (a) Yang, Y.; Larson, B. C.; Tischler, J. Z.; Budai, J.; Ice, G. E. Micron 2004, 35, 431. (b) Barabash, R.; Ice, G. E. Encyclopedia of Materials: Science and Technology Updates: Elsevier Press: Amsterdam, 2005; pp 1−18. (10) Kunz, M.; Tamura, N.; Chen, K.; McDowell, A.; Celestre, R.; Church, M.; Fakra, S.; Domning, E.; Glossinger, J.; Kirschman, J.; Mossison, D.; Plate, D.; Smith, B. V.; Warwick; Yashchuk, V.; Padmore, H. A.; Ustundag, E. Rev. Sci. Instrum. 2009, 80, 035108. (11) Bauer, M. A.; Biem, A.; McIntyre, N. S.; Xie, Y. J. Phys.: Conf. Ser. 2010, 256, 012017. (12) Bauer, M. A.; Biem, A.; McIntyre, N. S.; Tamura, N.; Xie., Y. J. Phys.: Conf. Ser. 2012, 341, 012025. (13) Chao, J.; Suominen Fuller, M. L.; Sherry, N.; Qin, J.; McIntyre, N. S.; Ulaganathan, J.; Carcea, A. G.; Newman, R. C.; Kunz, M.; Tamura, N. Acta Mater. 2012, 60, 5508−5515. 7291
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