Prof.
Kell Mortensen
(Niels Bohr Institute, University of Copenhagen), Dr
Peter Peterson
(Oak Ridge National Laboratory),
Tobias Richter
(European Spallation Source ERIC)
10/17/16, 9:00 AM
Dr
Ken Museth
(DreamWorks & SpaceX)
10/17/16, 9:30 AM
Oral Contribution
In this presentation I'll share some of my personal experiences related to the tricky business of scooping, managing, developing and deploying technical software in various contexts. The main focus will be on industrial production environments as well as an open source project you have likely never heard of, but almost certainly seen on the big screen. This project, dubbed OpenVDB, is a C++...
Andy Gotz
(ESRF)
10/17/16, 10:50 AM
Oral Contribution
by Alex de Maria, Armando Solé, and Andy Gotz on behalf of the ESRF Data Policy Implementation Team
The ESRF, the European Synchroton, has recently adopted a Data Policy which will archive all data collected at the ESRF for 10 years and be made freely available as Open Data after an initial embargo period of 3 years (can be extended on request). Currently the ESRF produces 2 PBs of raw data...
Dr
Stephen M Fisher
(RAL - STFC)
10/17/16, 11:10 AM
Oral Contribution
The ICAT project provides a metadata catalogue and related components to support Large Facility experimental data and aspires to link all aspects of the research chain from proposal through to publication and can also be used to provide an implementation of a data policy as has been done at a number of facilities using ICAT.
Over the last couple of years, the existing components of ICAT...
Mr
Frazer Barnsley
(STFC)
10/17/16, 11:30 AM
Oral Contribution
Modern instruments and detectors are capable of capturing large amounts of data in one scan, and experiments are becoming more sophisticated, with multiple techniques applied at once or dynamic structures such as chemical reactions being recorded. Data volumes have now grown so large that in many cases it is simply not practical for users to transport the data to their home institution. In...
Dr
Martin Rehr
(Niels Bohr Institute, University of Copenhagen)
10/17/16, 11:50 AM
Oral Contribution
The Image Data Management System (IDMS) is a platform for data management, data analysis and data visualization. Storing, processing and visualizing scientific image data-sets is a challenge because the data streams from the large X-Ray and neutron facilities increase at a rate exceeding the rate in which generic disk drives grow. Furthermore processing and visualizing these image data-sets...
Mr
Milan Prica
(Elettra)
10/17/16, 12:10 PM
Oral Contribution
Elettra-Sincrotrone Trieste comprises Elettra synchrotron and FERMI free-electron laser. Combined, the two facilities serve 34 beamlines. The Scientific Computing Team supports the full data lifecycle. Proposal submission and evaluation are handled in the Virtual Unified Office. Data acquisition and experimental control are built on top of the TANGO control system on all but the oldest...
Mr
Nicholas Schwarz
(Argonne National Laboratory)
10/17/16, 12:30 PM
Mini Oral
Demands for increased computing at synchrotron facilities are driven by new scientific opportunities often enabled by technological advances in detectors, as well as advances in data analysis algorithms. These advances generate larger amounts of data, which in turn require more computing power in order to obtain near real-time results. An example where advances in computation are critical is...
Dr
Garrett Granroth
(Oak Ridge National Laboratory)
10/17/16, 1:30 PM
Oral Contribution
A new generation of instruments has resulted in increased complexity at all levels of the data chain. Furthermore, the experiments on these instruments, and the desire to compare the results to more detailed models, leads to a very large and diverse computational environment. Yet our goal is to facilitate the use of such facilities to expedite the users’ knowledge production. This contribution...
Dr
Nicola Wadeson
(Diamond Light Source UK)
10/17/16, 1:50 PM
Oral Contribution
Savu is an open-source, portable, tomography reconstruction and processing
pipeline developed at the Diamond Light Source as a post-processing tool for tomography data collected with a parallel beam geometry. Written in object-oriented python, it runs in parallel using mpi-based cluster computing or serially on a PC. The parallel
HDF5 backend handles big data, and the design allows...
Prof.
Brian Vinter
(Niels Bohr Institute, University of Copenhagen)
10/17/16, 2:10 PM
Oral Contribution
In business, Big Data analysis is most often managed with the Hadoop system[1]. The popularity of Hadoop has made the system well known and widely supported. Thus as may be expected, the use of Hadoop for scientific data analysis has also been widely investigated[2][3]. Hadoop however, has several design choices that makes is less than optimal for scientific data processing. Most importantly...
Dr
Wojciech Potrzebowski
(European Spallation Source ERIC, Data Management and Software Center)
10/17/16, 2:30 PM
Oral Contribution
SasView is a well-established open source, collaboratively developed software for the analysis and the modeling of small angle scattering (SAS) data. The core functionality of SasView includes the fitting of model functions, pair-distance distribution function inversion and model-independent analysis. SasView provides a large collection of form and structure factors and with the recently...
Dr
Jacob Filik
(Diamond Light Source)
10/17/16, 2:50 PM
Mini Oral
DAWN is a free, multiplatform, open source, data analysis workbench built from the core mathematical and visualisation components of Diamond’s data acquisition software GDA (Generic Data Acquisition). Over the last few years, major new features have been added to DAWN to attempt to meet the diverse data processing requirements across the beamlines at Diamond, initially focusing on 2D powder...
Mads Kristensen
(Niels Bohr Institute, UCPH)
10/17/16, 2:55 PM
Mini Oral
The Bohrium runtime system exploits an array programming approach from a high-level
language to extract parallelism and accelerate execution on a variety of hardware setups. By presenting the user with an array programming abstraction, it is possible to extract a high level of parallelism without requiring the programmer to adjust the program to fit the current execution environment.
...
Dr
Jess Wellendorff
(QuantumWise A/S)
10/17/16, 3:00 PM
Mini Oral
The Virtual NanoLab (VNL) was initially developed as a Graphical User Interface (GUI) to QuantumWise’s atomic-scale simulation tools, the Atomistix ToolKit (ATK). In the last years the GUI has been transformed into a platform which through a number of open source plugins can be interfaced to almost any scientific simulation software. The software is now free for academic researchers.
In...
Dr
Carsten Fortmann-Grote
(European XFEL GmbH, Schenefeld, Germany)
10/17/16, 3:30 PM
Oral Contribution
Realistic simulations of experiments at large scale photon facilities, such as optical laser laboratories,
synchrotrons, and Free Electron Lasers, are of vital importance for the successful preparation,
execution, and analysis of these experiments investigating ever more complex physical systems, e.g.
biomolecules, complex materials, and ultrashort lived states of highly excited matter....
Mr
Peter Willendrup
(DTU Physics)
10/17/16, 3:50 PM
Oral Contribution
**Abstract:**
The topic of this presentation is an integration task, based on the three well-known neutron scattering softwares [McStas][1], [SASview][2] and [Mantid][3]. We will show a "full-circle" virtual SANS experiment where we combine
- An arbitrary SASview scattering kernel
- Instrument resolution realism from McStas
- ToF event analysis in Mantid
- Re-retrieve the initial...
Sergey Yakubov
(DESY)
10/17/16, 4:10 PM
Oral Contribution
Traditionally, virtual machines are used to emulate a specific operating system, providing complete isolation from the underlying hardware/software. They are used, for example, by system administrators to optimize resource usage allowing several isolated services be executed on different virtual machines running on the same physical machine, by DevOps to provide a desired environment for...
Steven Hahn
(Oak Ridge National Laboratory)
10/17/16, 4:30 PM
Oral Contribution
Large multidimensional neutron scattering datasets are routinely collected at neutron scattering facilities. Compared to other imaging tasks, the unique characteristics of neutron scattering data including binning along non-orthogonal axes and the need to distinguish between points with zero intensity and ones without detector coverage. Meeting user expectations to interactively visualize and...
Dr
Jiro Suzuki
(KEK, J-PARC)
10/17/16, 5:00 PM
Poster
We report the current status of data-analysis software environment at Materials and Life Science Facility (MLF) of Japan Proton Accelerator Research Complex (J-PARC). MLF is a user facility which provides neutron and muon sources for experiments. The basic concept of analysis environment for the neutron scattering instruments is to provide a software framework that has common and generic...
Dr
Benjamin Watts
(Paul Scherrer Institute)
10/17/16, 5:00 PM
Poster
Scanning transmission X-ray spectro-microscopy (STXM) is a synchrotron-based materials analysis technique that provides high resolution imaging with strong, natural contrast based on various X-ray spectroscopic effects. STXM experiments involve focusing a monochromatic X-ray beam onto a thin sample and measuring the amount of transmitted radiation - this provides a single pixel of an image...
Dr
Frederick Akeroyd
(STFC),
Matthew Jones
(ISIS/RAL)
10/17/16, 5:00 PM
Poster
Viewing and reducing event data “live” during an experiment is an increasingly important part of experiment control. At ISIS we had developed a simple TCP streamer mechanism that allowed data to be processed by Mantid during an experiment, but this was limited to just the neutron events and was likely to encounter performance issues with our new generation acquisition hardware. As part of an...
Dr
Stephen King
(ISIS Pulsed Neutron and Muon Source)
10/17/16, 5:00 PM
Poster
There are many data analysis packages for the different X-ray and neutron scattering techniques; for small-angle scattering (SAXS/SANS) alone there are something in the region of 50! [1] These packages bring many challenges, but most notably the challenges of: sustaining development *and support*, providing for *and maintaining* cross-platform deployment, utilising multi-processor compute...
Dr
Georgios Kourousias
(Elettra - Sincrotrone Trieste), Mr
Roberto Borghes
(Elettra Sincrotrone Trieste)
10/17/16, 5:00 PM
Poster
We present a concrete example of research and development of a set of computational methods and the challenges faced for integrating them in the control system and workflow of a synchrotron beamline in operation.
An important computational operation in a set of spectra is that of aligning them to a reference spectrum. In X-ray Fluorescence this is referred to as energy calibration and may...
Dr
Timothy Spain
(Diamond Light Source Ltd.)
10/17/16, 5:00 PM
Poster
The XPDF project aims to provide a hands-off data service for users to produce X-ray Pair Distribution Function data. The software will be accessible to non-expert users, allowing scientists from a variety of disciplines to get PDF data without knowledge of the details of X-ray powder diffraction and with minimal intervention from beamline staff. The software for the project uses several of...
Mr
Evens Moraba
(Necsa SOC Limited)
10/17/16, 5:00 PM
Poster
Neutron imaging is becoming an increasingly important diagnostic technique due to its complementary nature to X-ray imaging. The technique is employed in a wide range of applications in science and engineering [1–2]. Focussing of the CCD camera based neutron radiography (N-Rad) detector system is one of the keys to optimal data acquisition required for successful analysis of radiographs. The...
Mr
David Keymer
(STFC)
10/17/16, 5:00 PM
Poster
ISIS has a variety of neutron choppers present across the instrument suite, and these need to be remotely controllable by the scientists performing experiments. We will cover the various chopper models currently in use, how they are controlled (on both LabVIEW and EPICS based instruments), and the interface provided to the end user.
Dr
Anders Markvardsen
(ISIS neutron & muon source, STFC)
10/17/16, 5:00 PM
Poster
Fitting is the process of trying to fit a mathematical model or
function to some data, where the data may originate from measurements
at beamlines or simulations. A simple example could be the problem of
fitting a polynomial background function plus a set of peak functions
to a spectrum. Fitting is commonly a core functionality in neutron,
muon and x-ray data reduction and analysis...
Mr
Kevin Savage
(Diamond Light Source)
10/17/16, 5:00 PM
Poster
eBIC (electron Bio-Imaging Centre, http://diamond.ac.uk/Science/Integrated-facilities/eBIC.html) at Diamond Light Source provides scientists with state-of-the-art experimental equipment and expertise in the field of cryo-electron microscopy, for single particle analysis and cryo-tomography. Currently two powerful cryo-electron microscopes allow users to investigate the structure of individual...
Mr
Ming Tang
(Institute of High Energy Physics)
10/17/16, 5:00 PM
Poster
The design philosophy of data management system for China Spallation Neutron Source (CSNS) is data safety, user convenience, and big-data sharing. Under the considerations, the four main parts are covered: data transfer, data storage, metadata catalogue, and data access.
The high-speed and highly reliable data transfer service is developed. It will handle with the data delivery among...
Mr
Lamar Moore
(STFC/ISIS)
10/17/16, 5:00 PM
Poster
L. Moore1, O. Arnold1,2, K. Kanaki3, T. Nielsen3, J. Taylor3, M. Hart1
1. ISIS Facility, Rutherford Appleton Laboratory, Didcot, UK
2. Tessella plc, Abingdon, Oxfordshire, UK
3. European Spallation Source, Lund, Sweden
The LOKI instrument, for broadband Small Angle Neutron Scattering, is currently under development for...
Dr
Antti Soininen
(ILL), Dr
Gagik Vardanyan
(ILL), Dr
Ian Bush
(Tessella / ILL), Mrs
Verena Reimund
(ILL)
10/17/16, 5:00 PM
Poster
The ILL have begun a project to phase out the use of their existing data reduction software, LAMP [1], and begin to use the Mantid Framework [2]. Some of the first work being undertaken in the Mantid adoption project is to compare the reduction output between LAMP and Mantid. In some cases, such as loading of the raw data, an identical output could be expected. In other cases it might be...
Dr
Shelly Ren
(ORNL)
10/17/16, 5:00 PM
Poster
How do we leverage the sample, the sample environment, and the instrument configuration data that is available in various systems to assist data processing? How do we plan an experiment and characterize corresponding scan modes like “transmission”, and scan types like “sample”, “background” and “media” to support metadata mining? How do we use cataloged metadata to enable automated data...
Afonso Mukai
(European Spallation Source ERIC)
10/17/16, 5:00 PM
Poster
A data aggregation and streaming software system is being developed at the ESS Data Management and Software Centre as part of the BrightnESS project, with ISIS as an in-kind partner. Data produced by sources such as detector event formation systems, sample environment, motion control and choppers will be aggregated by the system, to be consumed by software performing tasks including live data...
Mr
David Mannicke
(ANSTO)
10/17/16, 5:00 PM
Poster
Tired of managing piles of paper logbooks for your instrument? Now you can make instrument journals electronically. The Electronic Notebook application developed by the Gumtree team is available to help instrument scientists to write and to manage their instrument logs. This application has been used by the SANS instruments in ANSTO. And it is accepted as an easy, standardised, and secure way...
Mr
Paul Martin
(Australian Synchrotron)
10/17/16, 5:00 PM
Poster
The EPICS Qt Framework is used at the Australian Synchrotron to build GUI Applications for the control of beamlines. This includes EPICS-aware widgets, as well as a simple XML based definition of the application menu structure which allows customized applications to be constructed easily and quickly without the need for writing code. By creating reusable Qt components and forms to support...
Martin Shetty
(European Spallation Source ERIC)
10/17/16, 5:00 PM
Poster
The Macromolecular Diffractometer (NMX) instrument at the European Spallation Source will use novel Gadolinium gas electron multiplier (GEM) detectors for improved efficiency and spatial resolution. In the data acquisition chain, a software event formation step will deduce position and time of an incident neutron from charge deposition data by means of the time projection chamber (uTPC)...
Dr
Peter Peterson
(Oak Ridge National Laboratory)
10/17/16, 5:00 PM
Poster
Mantid[1] is a joint collaboration between ESS, ISIS and ORNL. One of the main features of this framework is the possibility to use event data. Event data allows using novel techniques, such as asynchronous parameter scans, including temperature, magnetic field, and pump probed experiments. Mantid allows for the separation of measurement setup from the way the data is processed and,...
Leonid Flaks
(Brookhaven National Laboratory)
10/17/16, 5:00 PM
Poster
**From the Dream to Reality: Macromolecular Crystallography at NSLS2 System Administrator View.**
*Leon Flaks*
Brookhaven National Laboratory
Bldg 741, NSLS2 BNL Upton, NY 11973 USA
Back in 2014 we reported our plans for macromolecular crystallography at NOBUGS 2014. Now it is time to discuss what we have accomplished since that time. Two MX beamlines have seen first light, first...
Dr
Ivars Karpics
(EMBL Hamburg)
10/17/16, 5:00 PM
Poster
The EMBL Hamburg outstation, located at DESY campus (Hamburg Germany), operates two macromolecular crystallography (MX) beamlines P13 and P14. Both beamlines are equipped with high-end instrumentation like adaptive optics, configurable compound refractive lenses, beam conditioning units, kappa goniostats, Pilatus detectors, and automatic sample changers to fulfill the needs of the MX...
Vickie Lynch
(Oak Ridge National Laboratory)
10/17/16, 5:00 PM
Poster
There are many methods for integrating single crystal peaks, but most have problems finding the volume in which to integrate the peaks. Also many peaks are near the edge of detectors or between detectors and the integrated intensity is underestimated. New work has been done to improve the integration volumes for peaks from single crystal instruments that have tens of thousands of peaks with...
Dr
Takeshi Nakatani
(J-PARC)
10/17/16, 5:00 PM
Poster
Neutron and muon experimental instruments in Materials and Life science experimental Facility (MLF), Japan Proton Accelerator Research Complex (J-PARC) carry out many kinds of measurements and produce an enormous number of experimental data, such as raw data and metadata representing measurement conditions, by a lot of external users from not only academic but also industry. It is important to...
Dr
Sandor Brockhauser
(EuXFEL)
10/17/16, 5:00 PM
Poster
The European XFEL is a 3.4 km long X-ray Free Electron Laser in its final construction and commissioning phase in Hamburg. It will produce spatially coherent X-rays in the energy range between 0.25 keV and 25 keV. The machine will deliver 10 trains/s, consisting of up to 2700 pulses/trains at 4.5MHz repetition rate. In 2015 a first electron beam was produced in the RF-photo-injector and the...
Dr
Erik Knudsen
(DTU Physics)
10/17/16, 5:00 PM
Poster
[McXtrace][1] [1][2] is a Monte Carlo Ray tracing package for performing simulations of any kind of X-ray optical instrumentation or scattering experiment. We present the latest results obtained using the new release McXtrace version 1.3.
Some highlights of simulations using McXtrace include:
1. McXtrace in space - simulations of an X-ray telescope satellite ATHENA [3].
(See image)
...
Dr
Steven Hahn
(Oak Ridge National Laboratory)
10/17/16, 5:00 PM
Poster
Software applications make choices that balance offering simplicity for novice users with maintaining sufficient flexibility for advanced use cases. SpinWaveGenie, a library of reusable building blocks for performing linear spin wave calculations, derives its customizability from having users write small programs directly calling these classes. In this poster, I will discuss how we have...
Mr
Peter Willendrup
(DTU Physics)
10/17/16, 5:00 PM
Poster
The [McStas][1] neutron ray-tracing simulation package is a versatile tool for producing accurate simulations of neutron scattering instruments at reactors, short- and long-pulsed spallation sources such as the European Spallation Source. McStas It is extensively used for design and optimization of instruments, virtual experiments, data analysis and user training. McStas was founded as an...
Guifré Cuní
(CELLS-ALBA)
10/17/16, 5:00 PM
Poster
On-Axis-View (OAV) is a python library designed to develop applications to visualize, monitor and control the sample environment of a general experimental end-station, and is being used in several beamlines at ALBA Synchrotron.
Many X-Ray experiments performed in a synchrotron facility (like Protein Crystallography, Non Crystalline Diffraction or Powder Diffraction experiments) require a...
Céline Durniak
(European Spallation Source ERIC)
10/17/16, 5:00 PM
Poster
Extracting scientific results from neutron experiments requires a challenging multiple-step treatment of the data, starting from the reduction and followed by the analysis. In order to simplify some of the repetitive procedures, automated and real time data reduction based on Mantid [1] has been tested at the Spallation Neutron Source and ISIS [2]. The second stage, the data analysis, can also...
Dr
Andrey Kirilov
(FLNP of JINR)
10/17/16, 5:00 PM
Poster
Python programming language/1/ is popular, in particular for the programming and control systems as a basic programming language /2,3/ and as a language for programming user interfaces (GUI)/4/. In the programming complex Sonix+/5/. Python successfully used for both of these. The presentation will be devoted to some nice language features useful for programming instrument control...
Mr
Kentaro Moriyama
(Comprehensive Research Organization for Science and Society)
10/17/16, 5:00 PM
Poster
The MLF Experimental Database (MLF EXP-DB) is a core system aimed at delivering advanced services for data management and data access in J-PARC/MLF [1]. The main role of this system is to safely and efficiently manage a huge amount of data created in neutron instruments, and provide an effective data access for facility users promoting the creation of scientific results. The system is a...
Mr
Nicholas Schwarz
(Argonne National Laboratory)
10/17/16, 5:00 PM
Poster
The APS continues to develop the *RSMap3D* software package, a general-purpose tool for reciprocal-space mapping. The tool allows users to examine the volume of collected data and select portions on which to apply transformations that convert detector pixel locations from diffractometer geometry to reciprocal-space units, and then map pixel data on to a 3D reciprocal-space grid. *RSMap3D* can...
Mr
Deon Marais
(Necsa SOC Limited)
10/17/16, 5:00 PM
Poster
Time efficient and accurate sample positioning with reference to the neutron gauge volume are important parameters on diffraction based strain scanner instruments. Traditionally sample alignment to the neutron gauge volume is performed by beam entry or wall scans and fitting of the diffracted neutron intensity values (as a function of relative position) to an analytical solution. Using this...
Dr
Anton Piccardo-Selg
(Tessella, ISIS)
10/17/16, 5:00 PM
Poster
The Mantid Project’s software framework provides general support for visualization and data reduction of neutron scattering and muon spin measurements [1]. It allows the users to implement their own custom analysis algorithms and reduction routines. For several scientific areas, such as Small Angle Neutron Scattering (SANS), simple and efficient custom interfaces with tailored data reduction...
Dr
Xiao Xiao Cai
(ESS/DTU)
10/17/16, 5:00 PM
Poster
NCrystal is a Monte Carlo software package that we developed for slow neutron interactions with single- and poly-crystals. Together with the inelastic scattering models in NCrystal, the Bragg diffraction model provides detailed microscopic description of the neutron transport in crystals. We only show the single-crystal capabilities in our newly developed NCrystal Geant4 extension in this...
Dr
Rong Du
(China Spallation Neutron Source, Institute of High Energy Physics)
10/17/16, 5:00 PM
Poster
A high-extendable distributed data processing suit for neutron experiments (DroNE) is developed in C++, which will server for the online data manipulation and analysis of neutron scattering instruments. The loosely-coupled distributed architecture is used to meet multi-discipline research demands at China Spallation Neutron Source (CSNS).
The software provides flexible Python/Java APIs,...
Dr
V. Armando SOLE
(ESRF)
10/17/16, 5:00 PM
Poster
The European Synchrotron Radiation Facility (ESRF) has identified data analysis and management as a key priority and is going to devote 45 years of additional full-time-equivalent man power to that purpose in the 2016-2022 period.
Among the expected deliverables, there is a set of tools to simplify development and maintenance of scientific applications. The silx toolkit (www.silx.org) tries...
Dr
Andrey Kirilov
(FLNP of JINR)
10/17/16, 5:00 PM
Poster
The software package Sonix + (Sonix) / 1 / developed as a unified control software for neutron instgruments. It has been in operation since 1995. Currently it is used at instruments of the IBR-2 (FLNP, JINR), as well at some instruments at other centers of the Russian Federation (totaly about 20 installations).
Though the main ideas of the Sonix + are largely similar to the decisions taken...
Mr
Ivan Morkovnikov
(JINR)
10/17/16, 5:00 PM
Poster
The presentation is devoted to the WebSonix service/1/ which is used for remote instrument monitoring at the IBR-2 reactor at FLNP together with instrument control software Sonix+/2/ since 2013. Currently, the service has been successfully used at 8 spectrometers. However, during the operation several problems have been revealed that suggest to make some correction. These correction cocerned...
Dr
Nicholas Draper
(Tessella)
10/17/16, 5:00 PM
Poster
Interest in neutron imaging in general and energy resolved neutron
imaging in particular has been growing in recent years. Several
imaging instruments are currently in different stages of planning,
construction, commissioning and operation at pulsed neutron sources
around the world, such as IMAT at ISIS (UK), ODIN at ESS (Nordic
countries), RADEN at J-PARC (Japan), and VENUS at SNS...
Dr
Michele Brambilla
(Paul Scherrer Institut)
10/17/16, 5:00 PM
Poster
The RITA2 instrument is a triple axis spectrometer installed at the Swiss Spallation Neutron Source SINQ. Its electronics dates back to the 80’s and required a renovation. As a part of the upgrade program RITA2 has been equipped with 2nd generation electronics and data acquisition based on event streaming.
In the framework of the BrightnESS project the DAQ software has been upgraded to make...
Dr
Mark Koennecke
(Paul Scherrer Institute)
10/17/16, 5:00 PM
Poster
Using Behavior Driven Development (BDD) tools has the advantage of both documenting the working of the tested system and providing for an executable test. This contribution shows how this works and how we applied BDD to retrofit automatic testing to an existing control system (SICS) which had been developed when no one talked about test driven development yet.
Mr
Peter Parker
(ORNL)
10/17/16, 5:00 PM
Poster
A significant problem affecting software developers is the difference in operating system, runtime dependencies and external services that can occur between local development environments and the environments in which software is actually deployed. This has consequences in terms of the increased software complexity required to account for these differences, and/or the effort necessary to...
Dr
Yasuhiro Inamura
(Japan Atomic Energy Agency, J-PARC)
10/17/16, 5:00 PM
Poster
We report the current status of software development about "Utsusemi" and its applications for the effective utilization of event-recording data on the Materials and Life Science Experimental Facility (MLF), the Japan Proton Accelerator Research Complex (J-PARC).
"Utsusemi" is the one of analysis software frameworks utilized for the data reduction and visualization in MLF, including...
Mr
Owen Arnold
(ISIS)
10/17/16, 5:00 PM
Poster
The separation of collected data, from the geometry of the instrument setup has proven to be a core strength in the Mantid Framework[1], a data reduction application used extensively at time-of-flight neutron sources around the world. The virtual instrument that Mantid supports allows for many geometric operations to be performed without any knowledge or assumptions on the actual instrument...
Lajos Schrettner
(ELI-ALPS),
Tamás Gaizer
(ELI-ALPS)
10/17/16, 5:00 PM
Poster
The management of a research institution is a complex task.
The challenges are even higher when multiple independently developing infrastructures have to be merged into a common European research centre.
This is what ELITRANS aims at: the goal of this Horizon 2020 project is to merge the three currently developing laser infrastructures,
namely ELI-ALPS in Hungary, ELI-Beamlines in the...
Dr
Stuart Campbell
(Oak Ridge National Laboratory)
10/17/16, 5:00 PM
Poster
The vibrational spectrometer (VISION) at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (ORNL) is the world's first high-throughput inelastic neutron scattering instrument. With it's high throughput, VISION is facing the challenge of timely data analysis and interpretation. The aim of VirtuES (Virtual Experiments in Spectroscopy) is to effectively meet this challenge, by...
Mr
Marcin Wojdyr
(CCP4 & Diamond Light Source)
10/17/16, 5:00 PM
Poster
Only 5 years after the first WebGL-based molecular graphics program, [GLmol](http://webglmol.osdn.jp/index-en.html), was created, this space is quite crowded now, with more than 10 open-source WebGL macromolecular viewers developed across the world. Despite of this, we felt that none of them can present electron density well enough to replace desktop programs, so to fill this gap we started to...
Mr
Adam Tornhill
(Empear AB)
10/18/16, 8:30 AM
Oral Contribution
In this keynote you'll learn novel techniques that help you make sense of large codebases. You'll learn to identify the code that really matters for your ability to maintain a codebase, how to prioritize improvements and even evaluate your architecture based on how you actually work with the code. We'll also cover the people side of programming as you learn to mine social information such as...
Dr
Thomas Proffen
(Oak Ridge National Laboratory)
10/18/16, 9:30 AM
Oral Contribution
Scientific publications are and will remain the primary source to measure scientific impact. However, the simple metric of publications, citations and journals impact is largely ignoring societal impact and becomes increasingly inappropriate for facilities, application developers or primary scientific data [1]. Principles of Open Access are more and more extended towards scientific data,...
Dr
Ian Bush
(Tessella / ILL)
10/18/16, 9:50 AM
Oral Contribution
At the ILL LAMP (Large Array Manipulation Program) [1] has been the primary package responsible for data reduction for over 20 years. LAMP is based on IDL, so works across multiple platforms, and provides a graphical user interface and scripting capabilities for data treatment. It provides support for most of the instruments at ILL, having the ability to handle data produced at the ILL since...
Dr
Mikel Eguiraun
(Maxlab)
10/18/16, 10:40 AM
Oral Contribution
The MXCuBE project started in 2005 at ESRF [1], with the objective of providing crystallography beamlines’ users an easy-to-use software platform to run their experiments. The current MXCuBE is based on PyQt, however the usage of old PyQt libraries, as well as the lack of a clear separation between the application control logic and the graphical layer makes it very difficult to maintain,...
Mr
Simon Gregor Ebner
(Paul Scherrer Institute)
10/18/16, 11:00 AM
Oral Contribution
A new Data Acquisition system is being developed and commissioned for the upcoming FEL at PSI. This system is based on several novel concepts and technologies, and it targets at immediate data availability and online processing.
The system is capable of assembling an overall data view of the whole machine thanks to the distributed and scalable buffering back-end. Load on data sources is...
Dr
Sergey Stepanov
(Advanced Photon Source, Argonne National Laboratory, Argonne, IL, USA)
10/18/16, 11:20 AM
Oral Contribution
Fast detectors revolutionize many operations at macromolecular crystallography beamlines, from introducing shutterless data collection and on-the-fly rastering scans to new standards for beamline stability, detector-goniometer synchronization at 100Hz data collection, and new ways to display data (e.g. plotting spots count in addition to visual inspection of individual frames). Fast crystal...
Dr
Frederick Akeroyd
(STFC)
10/18/16, 11:40 AM
Oral Contribution
Instrument control at ISIS is in the process of migrating from a mainly locally developed LabVIEW based system to an EPICS based one. The new control system, called IBEX, was initially used during commissioning of two new instruments, but is now being used on production systems. We will cover the architecture and design of the new control system, our choices of technologies, current status,...
Dr
Elena Litvinenko
(JINR)
10/18/16, 12:00 PM
Oral Contribution
A detector group of a neutron center has to solve daily a variety of non-typical tasks. These tasks may appear due to the configuration and commissioning of detectors, search for causes of faults, or with the development of new methodologies and the preparation of new types of experiments. That is why the requirements to the software from the detector group are specific and varied. The user...
Dr
JUNRONG ZHANG
(Institute of High Energy Physics, Chinese Academy of Sciences)
10/18/16, 1:30 PM
Oral Contribution
The data analysis & management system at China Spallation Neutron Source (CSNS) adopts the sophisticated designs and the existing resources from various big-science facilities.
The software for each beamline will be developed and deployed in the unified framework. Both facility and users can benefit from it. Under the strategy, a distributed data processing framework (DroNE) and message...
Dr
Ricardo Ferraz Leal
(SNS)
10/18/16, 1:50 PM
Oral Contribution
Neutron scattering is one of the most effective ways to obtain information on both, the structure and the dynamics of condensed matter. The Spallation Neutron Source (SNS) is an accelerator-based neutron source at the Oak Ridge National Laboratory (TN, USA). This facility provides the most intense pulsed neutron beams in the world for scientific research and industrial development....
Mr
Nicholas Schwarz
(Argonne National Laboratory)
10/18/16, 2:10 PM
Oral Contribution
High-performance data analysis software and computing infrastructure are of particular importance for synchrotron facility productivity. Demands for increased computing at user facilities is driven by new scientific opportunities enabled by new measurement techniques, technological advances in detectors, multi-modal data utilization, and advances in data analysis algorithms. The proposed...
Dr
Markus Gerstel
(Diamond Light Source Ltd)
10/18/16, 2:30 PM
Oral Contribution
A proposal for the future data analysis infrastructure at Diamond Light Source is presented. Built on a messaging framework a variable number of distributed servers working in parallel replaces monolithic batch jobs running on a single node. This infrastructure is scalable, can be easily extended, and even allows moving heavily CPU-bound tasks, such as the processing of reduced macromolecular...
Dr
Bill Pulford
(Dimaond Light Source)
10/18/16, 2:50 PM
Oral Contribution
Diamond Light Source, the UK national synchrotron, is used by many thousands of researchers from the UK and many other countries each year. It works like a giant microscope, harnessing the power of electrons to produce bright light that can be used to study anything from fossils to jet engines to viruses and vaccines. Frequently the boundaries of the research extend across many other...
Dr
Brian Ritchie
(RAL - STFC)
10/18/16, 3:10 PM
Oral Contribution
The ICAT Job Portal (IJP) allows users to create and submit jobs to
HPC resources or compute farms, taking as inputs datasets and
datafiles selected using ICAT catalog searches, with jobs using the
ICAT Data Service for data access.
Jobs are specified via Job Types, where each Job Type defines: whether
a job is interactive or can be run as a batch job; the dataset types
for which a job...
Mr
Roberto Borghes
(Elettra Sincrotrone Trieste)
10/18/16, 4:00 PM
Oral Contribution
Synchrotron and Free Electron Laser beamlines consist of a complex network of devices. Such devices can be sensors, detectors, motors, but also computational resources. The setup is not static and is often upgraded. The data acquisition systems are constantly challenged by such continues changes and upgrades, so a constant evolution of software technologies is necessary. DonkiOrchestra is a...
Mr
David Mannicke
(ANSTO)
10/18/16, 4:20 PM
Oral Contribution
Gumtree is a software product developed at ANSTO and used for experimental control as well as data visualization and treatment. In order to simplify the interaction with instruments and optimize the available time for users, a user friendly multi sample workflow has been developed for Gumtree. Within this workflow users follow a step by step guide where they list available samples, setup...
Dr
Mark Basham
(Diamond Light Source)
10/18/16, 4:40 PM
Oral Contribution
Diamond Light Source is not alone in having multiple beamlines capable of conducting X-Ray mapping style experiments. These experiments involve moving a sample through the X-Ray beam, and collecting the result of the interaction on one or more detectors. As the mapping techniques themselves become more advanced, and the expectations of users increase with requirements for real time feedback...
Dr
Justyna Aleksandra Wojdyla
(Paul Scherrer Institut)
10/18/16, 5:00 PM
Oral Contribution
Data acquisition software is an essential component of modern macromolecular crystallography (MX) beamlines, allowing for efficient use of beamtime at synchrotron facilities. Coupled with our highly distributed automatic data processing routines it allows assessment of data quality on the fly.
Developed at the Paul Scherrer Institut, the DA+ data acquisition software is implemented at all...
Dr
Ricardo Ribalda Delgado
(Qtechnology A/S)
10/19/16, 8:30 AM
Oral Contribution
Current Imaging sensors have amazing capabilities: Big resolutions, High Frame Rate, Hyperspectral Vision.... This is revolutionizing the industry with new applications such as 3D inspection or real time Chemical content detection. It is also changing the way we process images, a 12 Megapixel sensor produces as much as 4.8 GiB/s, or 16 times the data generated by the "interesting events" of...
Michael Wedel
(European Spallation Source ERIC)
10/19/16, 9:30 AM
Oral Contribution
Over the last years, powerful mobile computing devices with internet access such as
smart phones and tablets have become ubiquitous. In parallel, new software and services
have emerged that provide a multitude of possibilities to exchange one-to-one,
one-to-many and many-to-one information. This combination of hardware and software
forms an enormous infrastructure that is capable of...
Mr
Deon Marais
(Necsa SOC Limited)
10/19/16, 9:50 AM
Mini Oral
Personnel safety is of primary importance at beam-line facilities at nuclear research installations which includes the establishment of a safe working environment and minimizing the risk of accidental exposure to ionizing radiation [1]. This can be achieved through robust engineering design of independent safety systems as well as following pre-determined safe working procedures.
The...
Tobias Richter
(European Spallation Source ERIC)
10/19/16, 9:55 AM
Mini Oral
This is the traditional NOBUGS update on the NeXus data format for neutron, muon and x-ray science. With steadily increasing adoption at facilities, NeXus is facing a number of challenges between developing the standard for new and future experiments while maintaining backward compatibility to data collected in the past. There are also different use cases that call for flexible and human...
Mr
Carlos Pascual-Izarra
(Alba Synchrotron)
10/19/16, 10:30 AM
Oral Contribution
On the one hand, science is about openness and collaboration and, on the other hand, open and community-driven software projects have demonstrated to yield more generic and resilient solutions thanks to the diverse users’ needs and feedback. Yet, the development of many scientific software projects (even free/open-source ones) is still managed in a closed way, typically by one or few people...
Dr
Peter Peterson
(Oak Ridge National Laboratory)
10/19/16, 10:50 AM
Oral Contribution
Collaborative software provides for improved community engagement, better reliability, and continued development. These benefits come with additional costs to effective communication. For a project developed by a distributed team to be successful, it must adopt strategies to overcome communication issues. Specifically, an effective distributed team must communicate where the project currently...
Raquel Alvarez
(ISIS, STFC)
10/19/16, 11:10 AM
Oral Contribution
From its inception, software quality has been at the forefront of concerns in Mantid[1], a scientific framework for reduction of neutron scattering data. The Mantid project was implemented with a long term future in mind, and the need to maintain quality and robustness while continuing to develop the framework has been a cornerstone in the project. As such, we have developed a comprehensive...
Mr
Michael Hart
(STFC)
10/19/16, 11:30 AM
Mini Oral
User-facing instrument control software will be a critical component to the operation of the European Spallation Source (ESS) under construction in Sweden. The control software must be robust, proven, and well tested for day-one operations. A sequential approach to development, whereby the target hardware is procured, installed and made operational prior to the development of the control...
Dr
Matthew Jones
(STFC, Tessella)
10/19/16, 11:35 AM
Mini Oral
At the ESS, data from each instrument will need to be transported elsewhere for use by various software packages which will perform tasks such as analysing the data, providing live visualisation or writing data files. To do this, an ESS and ISIS in-kind collaboration will implement a robust and high throughput streaming system. The data stream will largely comprise neutron events and...
Dr
Shirley Crompton
(Science and Technology Facilities Council)
10/19/16, 11:40 AM
Mini Oral
CCP4-DaaS is a research infrastructure project undertaken by the UK [Science and Technology Facilities Council][1] (STFC) to provide centralised computational facilities targeting the [CCP4][2] community of researchers in macromolecular crystallography. The project implements a Data Analysis as a Service (DaaS) framework, building on the [ICAT][3] stable of software tools for managing Large...
