Daiquiri [1] is a web based User Interface (UI) framework for control system monitoring and data acquisition. It provides simple, intuitive, and responsive interfaces to control and monitor hardware, launch acquisition sequences, and manage associated metadata. Daiquiri concerns itself only with the UI layer, it does not provide a scan engine or controls system but can be easily integrated...
Since the start of ESRF-EBS, the Extremely Brilliant Source upgrade, the new beamline control system, BLISS, is in production on half of the ESRF beamlines since August 2021, with deployment on all beamlines planned for 2024. BLISS is a Python library and a set of tools to empower scientists with the ability to write and to execute complex data acquisition sequences. BLISS is made of mini...
The Karabo distributed control system has been developed to address the challenging requirements of the European X-ray Free Electron Laser facility [1], including complex and custom-made hardware, high data rates and volumes, and hand-off of data to online data analysis applications for distributed processing and rapid feedback. Karabo is an extensible, distributed application, which...
In a few short months from now, the Advanced Photon Source Upgrade will begin a complete reconstruction and upgrade of the storage ring. The upgrade involves a long dark period where no experiments will be possible. Significant changes will be made to many beam lines. This dark time offers the APS a major interval in which to retool the beam experiment controls with advancements not...
Advancements in synchrotron methodology have long been limited by both hardware instrumentation and software. While hardware limitations are gradually being lifted with the emergence of next-generation light sources and beamline instrumentation, high (data) throughput, multimodal, time-resolved, in-situ and dynamic experiments performed at future beamlines are expected to impose tremendous...
Diffraction is a key tool for structure analysis. However, currently available software for modelling and analysis of diffraction data may be, on the one hand, difficult for new users looking to apply diffraction to their field of expertise and, on the other hand, not flexible enough for domain experts.
EasyDiffraction [1] aims to lower the barrier of entry to diffraction data analysis by...
This presentation will give an overview of the current state of ScanManipulator, the data reduction, analysis, and visualisation software implemented at the Neutron Diffraction Facility at the SAFARI-1 research reactor in South Africa. ScanManipulator was developed in-house to automate a number of processes associated with the Materials Probe for Internal Strain Investigation (MPISI) and...
![DARTS][2]
The Data Analysis Remote Treatment Service (DARTS) [1] is a remote desktop service that launches virtual machines in the cloud, and displays them in your browser.
These machines can be used for e.g. scientific data treatment (reduction/analysis). A user indicates how many CPU cores and how much memory he wishes, can optionally request a GPU for heavy-duty computations,...
The DIALS software for the processing of X-ray diffraction data is presented, with an emphasis on how the suite may be used as a toolkit for data processing. The description starts with an overview of the history and intent of the toolkit, usage as an automated system, command-line use, and ultimately how new tools can be written using the API to perform bespoke analysis. Consideration is also...
There are many workflow management systems which provide standalone frameworks for implementing tasks, creating graphs of tasks and executing these graphs. Instead of choosing one of these and taking the risk that it gets outdated after a few years the ESRF has opted for a meta approach to workflows. The ESRF’s Workflow Management System (ewoks*) was developed to provide an abstraction layer...
Data analysis pipelines for diffuse scattering workflows consist of various steps with differing requirements for computation time and user interaction. The NXrefine workflow system is a semi-automated Python GUI toolkit based around NeXpy and the NeXus data format for diffuse x-ray scattering and other applications. The user is able to orchestrate many analysis pipelines on different...
NOMAD provided an efficient data sharing platform for materials science for a long time. As one of the flagship projects of the German National Research Data Infrastructure initiative, NFDI, the project FAIRmat has now the goal of extending the NOMAD platform and providing an integrated solution for FAIR data management also covering the needs of synthesis and experimental characterisation...
This presentation will introduce SciCat to the general audience, a metadata catalogue developed as a collaboration between PSI, ESS and MAXIV. We will present the guiding principles and the needs that this project strives to address.
We will list the features currently implemented, from ingestion to publication, with an emphasis on the user experience. We will also showcase some external...
NeXus has a powerful and fairly complete structure to hold the geometry of the experiment.
The data reduction package Scipp (links: https://scipp.github.io/index.html and https://scipp.github.io/scippneutron/index.html) can process data automatically based on the embedded NeXus geometry, that allows scientists to view the histogrammed data in scientific coordinates. Generating an accurate...
The event driven Karabo [1] control system has been developed at the European XFEL to operate instruments and photon beam lines. More than ten thousand software devices interact as interfaces to hardware devices, provide system services or high level automation procedures. A core system service is data logging that continuously stores any changes of configurations and slow control data. Since...
Managing Experiment Data with Ease at the Advanced Photon Source
Hannah Parraga, Sinisa Veseli, John Hammonds, Steven Henke, Nicholas Schwarz
Advanced Photon Source, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL 60439, USA
Data are essential to the scientific discoveries enabled by experiments performed at the Advanced Photon Source (APS). At present, the APS...
Beamline instrumentation has dramatically improved over the years in synchrotron research facilities. Nowadays, detectors can produce thousands of frames in a matter of seconds. Therefore, a well-structured and configurable framework is required to easily access and assess the quality of these enormous amounts of data.
In this communication we present a metadata management solution...
There are numerous examples of legacy code within the science community. However, these are usually poorly documented and do not meet modern software standards. As time goes by any knowledge of how these codes are supposed to work is lost. Hence, maintaining them is at best difficult and at worst guess work. In this talk, I will present my experience of creating a modern version of the...
Large research infrastructures, such as synchrotron facilities, generate large amounts of data (up to a few tens of terabytes) every day. This data is very valuable, as it is the result of elaborate scientific experiments, which are likely to be performed only once.
Storing this data efficiently in addition to previously accumulated data, being able to transfer it quickly, and accessing it...
NSLS-II's Bluesky framework has enabled scanning and experiment orchestration at multiple facilities for a number of years. In this talk we present the preliminary work on Ophyd v2, a drop-in replacement for Ophyd that complies with the Bluesky protocols. Ophyd v2 is being developed collaboratively between NSLS-II and Diamond Light Source, it incorporates lessons learned from the original...
Properly capturing raw and meta-data during an experiment is rightfully given a high priority. Yet, it is the logbook that aids in putting the decisions made during the experiment and thus also the acquisition strategy itself into context. However, logbooks are frequently lacking a good integration into facility-specific services such as authentication and data acquisition systems and often...
SOLEIL offers with its 29 beamlines a wide energy range (from THz to hard X-ray), a large variety of experimental techniques, and sample environments to its users. SOLEIL’s teams started detail studies for an upgrade of the facility, which will offer new performances for the accelerators increased in brilliance, coherence and flux. These changes will be accompanied by new access modes in the...
In order to make new methods for protein crystallography experiments widely accessible at GM/CA@APS, the data acquisition program JBluIce was rewritten with improved modularity as the primary design goal. A comprehensive HTTP and Redis-based interface covering all levels of beamline functions enables a range of applications to control the beamline. This includes single use scripts for trying...
A new control system has been developed for the SmarAct GmbH multi-axis goniometer SmarGon. SmarGon is a six degree-of-freedom positioning device, allowing positioning of a sample and orientation around any given point. It was purpose build for protein-crystallography experiments, but, as will be presented here, was also re-purposed for other applications.
Due to limitations in SmarGon's...
CamServer is a Python package currently used at SwissFEL for running data processing pipelines. The system is deployed in a cluster of servers and handles 100Hz high-resolution camera images and other generic ZMQ streams. It can also align different data streams and images before processing. Standard processing pipelines are available out of the box (e.g. calculation of standard beam metrics),...
Data from Channel Access and beam-synchronous sources is currently archived to storage by several different software packages, each with their own on-disk file formats. In order to improve reliability, reduce complexity, ensure maintainability and pave the way for new features, a replacement is under development which uses ScyllaDB as the data store. A prototype of this is being tested at SwissFEL.
EuXFEL is a large scale laser facility which operates seven different instruments and the eighth is coming into operation now. All the instruments have a few hundred meters multi-component optical setups, which includes grazing incidence offset mirrors and focusing elements, such as CRL or KB mirrors. To increase efficiency of operation, automation of the beamline alignment procedure has a...
The Muon Spectroscopy Computational Project (MSCP) is an initiative that currently includes members of the Theoretical and Computational Physics Group and the Data and Software Engineering Group in the Scientific Computing Department, STFC and members of the Muon Group at ISIS, STFC. The main objective of the MSCP is to support users of muon sources via the development of a sustainable and...
The slsDetectorPackage is a control and readout software for the high performance X-ray detectors developed at the Paul Scherrer Institute. It is an attempt to provide a common and flexible interface for a family of detectors ranging from small 1D detectors (1280 channels) to large pixel detectors (16M). The core is written in C++ with a custom command line interface and Python binding for...
The European Spallation Source will provide a collection of instruments for state-of-the-art neutron science. To support the scientific activities, high-throughput instrument data, environment parameters and other metadata must be timely collected, aggregated and made available for real-time and offline analysis. The data aggregation and streaming system comprises an Apache Kafka stream...
The European Spallation Source is developing the next generation of user office software in collaboration with STFC. Handling proposal submission and review as well as experiment scheduling and sample safety declaration the software will address many of the tasks required of the user office for research infrastructures.
The software builds on existing user office software packages,...
The upcoming “Debye” beamline at the SLS-2.0 will provide continuous sub-second X-ray absorption spectroscopy and co-located X-ray diffraction under operating conditions with a photon energy range of 4.5 to 60 KeV. Based on a highly successful design at the SuperXAS beamline, the Debye QEXAFS monochromator is designed to produce spectra of monochromatic X-rays at up to 10 Hz by continuous...
Scanning transmission X-ray spectro-microscopy (STXM) involves both nanoscale imaging and spectroscopy that can cover multiple absorption edges over a wide energy range. The technique presents users with a dizzying array of parameters that control the dimensions of scans and details of the scanning process. Important quality measures such as the spatial and spectral resolution also depend on...
At the European XFEL, the inhouse developed Supervisory Control and Data Acquisition System (SCADA) Karabo has been steering and facilitating scientific experiments at the photon beamlines since the free-electron laser started its operation in 2017.
A single Graphical User Interface (GUI), the so-called KaraboGui, has been designed as a multi-purpose application and is the preferred entry...
Commercial cameras are extensively used at the European XFEL, by the scientific instruments and for beam diagnostics. In order to correlate the data coming from different sources, the train ID is used as a primary key; the train ID counts the number of X-Ray trains supplied since the beginning of the facility operation, is monotonically increasing with a period of 100 ms, and is uniquely...
With the advancements on instrumentations of next-generation synchrotron light sources, methodologies for small angle x-ray scattering (SAXS)/wide angle x-ray diffraction (WAXD) experiments have dramatically changed. Such experiments have evolved into dynamic and multi-scale in-situ characterizations, leaving prolonged exposure time as well as radiation-induced damage a serious concern....
Elettra.chat is a live chat service introduced in 2020 in order to improve and facilitate communication among internal teams of Elettra-Sincrotrone Trieste. It is based on the open source Rocket.chat platform and it is fully integrated with the Elettra information system called Virtual Unified Office (VUO). Elettra.chat is intuitive, easy to use and offers multi-platform support, multi-user...
In computer science, programming patterns are an invaluable source of creating state-of-the-art software. They propel the invention cycle of software projects, providing the vast availability of software solutions. Further, there exists a lot of tools and standards to manage and store data in the big data and AI economies. However, in scientific research structured data modelling patterns are...
Cameras and imaging tools in diagnostic systems are valuable sources of information at photon sources, and instrument scientists rely on their information to perform their experiments.
Defining the reference position of the beam during alignment of the instrument setup, monitoring and tuning the beam stability or aligning the position of the target with respect to the beam are examples of...
The Python 3 package diffcalc-core implements diffraction condition calculation for a six-circle x-ray diffractometer according to the methodology described in [H. You. Angle calculations for a ‘4S+2D’ six-circle diffractometer. J. Appl. Cryst. (1999). 32, 614-623][1]. Diffractometer operation modes are selected based on three constraints that can include combination of detector, sample,...
User experiments at synchrotron and free electron laser sources typically require longer duration data acquisition while synchronously moving several actuators and motors. Most of the accelerator control systems contain scan engines and tools (for example 1. - 4.) facilitating such experimental data collections. At European XFEL, the so called scan tool “Karabacon” has been developed, and...
As part of the European Open Science project, PaNOSC and the sister project ExPaNDS have developed a federated access API to public data held at any of the participating photon and neutron sources. The API and accompanying web front end support domain specific queries. This presentation will briefly cover the PaNOSC search API but mainly focus on the SciCat implementation, which is the data...
The ESRF is rebuilding its acquisition and processing workflows from scratch, with unified solutions whenever possible, to deliver both a homogeneous experience across all its beamlines, and robust high-performance processing software. However, due to the specificity of the different beamlines and techniques: (a) the acquisition data format might still differ; (b) the data itself might require...
One of the main features of BLISS, the ESRF beamline control system in production since the ESRF-EBS upgrade, is to decouple data acquisition from online data storage. Redis, an online database, is used as a temporary buffer to store all the data produced by an acquisition or a reference to the data in the case of large data. This allows clients to consume data without perturbing the...
BLISS, the ESRF beamline control system, in production since the ESRF-EBS upgrade, provides a framework to ease and standardize the integration of a variety of regulation devices (like temperature or pressure controllers). Thanks to a generic API, users can define custom regulation systems by combining BLISS objects e.g. a probe and a motor can be declared as Input and Output of a software...
To complement the facility’s next major upgrade, Diamond Light Source (DLS) is undergoing a programme to modernise its software stack. One area of particular interest is in scanning and experiment orchestration, for which DLS is migrating to the Bluesky framework. As a prototype, a Bluesky implementation of Xray Centring using a 3D grid scan has been implemented on a beamline at DLS. The...
For the past 5 years, Elettra has offered an MX beamline on its menu. Even though Italian and Indian users are its main patrons, clients from a wide variety of locations are enjoying all it has to offer. We will describe how we blend flavors of software from different facilities with our in-house ingredients to satisfy the utmost efficiency for mainly take-out orders.
More than a decade of...
MSlice[1][1] is a Python-based tool for performing and visualizing slices and cuts of inelastic neutron scattering data. It can be used both as a standalone application and as an interface of the data reduction software Mantid[2][2].
We provide an update on recent developments in the MSlice software package as well as on the new packaging system used for deploying the standalone version of...
This presentation reports the efforts at HEPS to systematically approach the complexity lower bounds both in beamline control and in experiment software:
- The former (Liu 2022a) is done by minimising repetitive work on multiple scales: single devices (with reusable, modular and minimal IOCs), devices on a single beamline...
The DIALS project[1] provides an open-source, extensible framework to analyse X-ray diffraction data and is now used widely in the X-ray
diffraction community. Much of this framework is in principle agnostic to the method used to obtain diffraction patterns. In recent years this has been expanded for continuous-rotation electron diffraction experiments[2], for example, highlighting how DIALS...
New project to construct experimental database for evaluation of materials and components of Polymer Electrode Fuel Cells (PEFCs), has been founded by New Energy and Industrial Technology Development Organization (NEDO) since 2020 year [1]. In this presentation, we report on the experiment data infrastructure for the Fuel Cell project at synchrotron radiation facility, SPring-8.
We newly...
Graphical user interfaces (GUI) are extremely useful tools for
interacting with data and allowing for simplified workflows where
users with minimal coding experience can obtain meaningful results,
thus bringing the software to a wider audience. Mantid already
contains a number of interfaces allowing for data processing and
visualization, with the most important point of entry being...
Polarized neutrons experiments are the only technique allowing to
analyze individual contributions from nuclear-coherent, incoherent,
and magnetic components of neutron scattering cross-section necessary
to study, among others, properties of paramagnetic materials. This
work presents all stages of data reduction implemented in Mantid for
Institut Laue-Langevin's (ILL) D7 instrument,...
Present-day material characterization requires insight from multiple techniques if a complete understanding of the material’s properties and behaviors is desired. This is often the case with synchrotron-based experiments in which, besides the collected data from a beamline itself, additional data is obtained by simultaneous measurements using other experimental probes and under different in...
A poster about the recent developments and future plans for the FitBenchmarking python packages developed by the Science and Technology Facilities council, in collaboration with Diamond Light Source.
McXtrace [https://www.mcxtrace.org][1] is a general Monte Carlo ray-tracing software for simulation X-ray beamlines and experiments. It benefits from the acquired experience gained from the McStas [https://www.mcstas.org][2] neutron code.
Compared to other X-ray modelling software (SRW, Shadow, XRT), McXtrace has been built in a modular way, allowing anybody to contribute with...
A high-performance data acquisition system (DAQ) has been under active development to meet APS-U needs. It takes data from underneath FPGA (Field Programmable Gate Array) and streams it to its downstream users. The APS-U DAQ system software framework is implemented as a major portion of APS-U new control system software infrastructure, which is called C2. To visualize the DAQ data on the fly,...
scipp is a software stack developed at ESS with in-kind contributions from ISIS for the reduction of neutron scattering data. It consists of multiple Python libraries:
- scipp: General purpose multi-dimensional arrays with labelled dimensions, physical units, and support for non-destructive binning of event data.
- scippnexus: Low-level utilities for reading and writing NeXus...
easyScience[1] is an initiative from the European Spallation Neutron Source (ESS) to unify simulation software across neutron scattering. DON’T PANIC! While this goal seems an unsurmountable challenge, it is achievable as demonstrated by our current releases. The easyScience project has the following aims; Provide a unified method to interact the most popular technique specific...
A high-performance data acquisition system (DAQ) has been under active development to meet APS-U needs. It takes data from underneath FPGA (Field Programmable Gate Array) and streams it to its downstream users. The APS-U DAQ system software framework is implemented as a major portion of APS-U new control system software infrastructure, which is called C2. To visualize the DAQ data on the fly,...
At SINQ and ANSTO SICS is used as instrument control software. SICS dates back to 1996 and is showing its age. It was decided to switch the SINQ instruments to a combination of EPICS and NICOS. The transition to NICOS is now nearly complete. The authors will present the lessons learned from the collaboration on SICS, from the transition to NICOS and will attempt to quantify the benefits of...
Abstract
Traditionally, data collection software written by individuals whose primary responsibility is not software have prioritized the User Interface (UI) of their software somewhere near the bottom as this often can become very time consuming as well as the source of many software bugs. For software developers whose primary responsibility it is to deliver software the goal should be to...
Data Management is essential to make research data easily accessible and usable. Important ingredients of data management include data policies and data workflows.
The data workflows are based on the policies which are implemented by defining a set of parameters stored in the metadata catalogue. The role of the metadata catalogue in relation to the data management services and underlying...
Presented by Kate Smith on behalf of the SLS MX Group.
The Swiss Light Source Macromolecular Crystallography Group operates three beamlines (X06SA, X06DA and X10SA) served by an in-house developed distributed DA+ software stack, which supports standard and sophisticated data acquisition and analysis[1,2]. Recent hardware upgrades include the TELL robot with increased dewar capacity and...
The high data rates of next-generation X-ray detectors coming into use at PETRA-III beamlines have triggered intense activity on the topics of `live' data processing and fast feedback to beamline users.
The vision is to provide users analyzed and reduced data in near-real time, which can be used to judge whether their data acquisition is producing meaningful output or not. This can in turn...
Zocalo is a data processing system developed to support live analysis at Diamond Light Source across multiple science areas, including crystallography and cryo-EM. Zocalo has been designed to be low-latency and fault-tolerant, and is used to orchestrate a wide variety of data processing tasks, including fast X-ray centring data analysis, automated data reduction with xia2, combining multiple...
As data rates and experimental complexity increase it is critical that facilities reduce the burden of reduction and processing of raw experimental data for users. While this statement itself is clear and simple, the reality behind implementing generic real-time auto-processing is not.
Broadly the problem can be split into two categories: Infrastructure and User Experience. Infrastructure...
We present a novel image analysis of diffraction frame which is applied to macro-molecular serial crystallography.
This new signal separation algorithm is able to distinguish the amorphous (or powder diffraction) component from the diffraction signal originating from single crystals. It relies on the ability to work efficiently in azimuthal space and derives from the work performed on pyFAI,...
The EMBL beamlines, P14, TREXX, P13, P12, support macromolecular crystallography, SAXS and X-ray imaging experiments. A common denominator between these techniques is the usage of high-frame-rate megapixel detectors and cameras. In an optimal scenario the data that they produce would immediately undergo some preliminary analysis and provide feedback to the users, allowing them to make informed...
HDF5 (with NeXus) is becoming the standard in many X-ray facilities. HDF5 viewers are needed to allow users to browse and inspect the hierarchical structure of HDF5 files, as well as visualize the datasets inside as basic plots (1D, 2D).
H5Web is a web-based HDF5 viewer developed at the ESRF to fulfill this need. Designed...
Field Programmable Gate Arrays (FPGAs) present interesting tool for accelerating scientific computing and artificial intelligence applications in high performance computing centers and at large scale photon and neutron facilities. Reliable, high throughput and low latency processing of data from X-ray detectors is likely the most exciting application in the latter case. Accessibility of proper...
[ISPyB][1] is a mature Laboratory Information System (LIMS) for synchrotron-based Macromolecular Crystallography (MX), Small Angle Scattering (BioSAXS), and Electron Microscopy (EM) experiments, developed and used by a number of light sources world-wide. The project has been developed over the last 20 years and is based on an ageing JAVA software stack. The ISPyB collaboration has continued to...
Mapping experimental mode is very common due to the increasing macro and nanoprobe beamlines in synchrotron facilities. Here we present a python-based software system with integrated data acquisition, analysis and visualization functions developed for a XRF microscopy beamline in Beijing Synchrotron Radiation Facility (BSRF). The control and acquisition part is based on the Mamba framework...
In the last years SINQ has undergone a major upgrade both from the hardware and the software point of view. The neutron flux has been increased thanks to new neutron guides, instruments have been upgraded (AMOR, DMC) and new instruments will be installed (SANS-LLB, Falcon). NICOS and EPICS replaced the old control software (SICS).
At the same time, we are undergoing a paradigm shift in the...
Training of new neutron and photon scientists is an important aspect in the longevity of large-scale facilities. Typically, these training take place at centrally organised training events. These events are (by necessity) selective, with only space for a limited number of students per iteration.
The PaN-training e-Learning platform (https://e-learning.pan-training.eu) looks to increase...
The Advanced Photon Source (APS) at Argonne National Laboratory (ANL) will replace the entire storage ring with a ring based on a multi-bend achromat lattice design. The new storage ring will increase the APS’s brilliance by factors of 100-1,000s, depending on x-ray energy, and make the APS the brightest hard x-ray synchrotron source in the world. Because of the greatly enhanced brightness,...
The Ada Lovelace Centre (ALC) will be a centre of expertise in scientific software engineering and data management, helping UK national facilities (Diamond Light Source, ISIS Neutron and Muon Source, Central Laser Facility, Scientific Computing Department) to maximise scientific and economic impact along all parts of the data chain e.g. machine learning techniques to efficiently filter high...
Institut Laue-Langevin (ILL) is looking forward into the future of reactor-based neutron scattering facility with an ongoing upgrade and maintenance programme Endurance phase 2, that spun years 2020-2023. This programme is intended to ensure continued output of quality science on 40 number of instruments and remain a competitive offer for users of neutron scattering. A part of this effort is...
The Swiss Light Source upgrade project (called SLS 2.0) started with the focus on the diffraction-limited storage-rings (DLSRs) for a fourth generation synchrotron light source. The main expected improvements from the machine upgrade is significantly reduced electron beam’s horizontal emittance, thus higher proton beam brilliance for hard x-ray beamlines and better photon beam coherent...
UN Secretary-General António Guterres described the Intergovernmental Panel on Climate Change's (IPCC) Sixth Assessment Report as a “code red for humanity”. Urgent CO2 emission reductions are needed, and it is therefore important to consider the environmental sustainability of everything that we do including our actions as researchers and software engineers. ICT is responsible for between 2...
Neutron imaging instruments, such as IMAT at ISIS in the UK, require dedicated software for pre-processing projection data and reconstructing it into 3D volumes using filtered back projection or iterative methods. Mantid Imaging puts powerful tools for noise reduction, artefact removal, alignment, and advanced iterative reconstruction methods in the hands of scientific users without requiring...
The ESRF (European Synchrotron) hosts several tomography beamlines, which use different types of contrast and offer vastly different resolutions and performance. Their acquisition and processing software are exceedingly fragmented. There exist many different codes and solutions for similar problems. This hampers the exchange and processing of data collected on different beamlines, while its...
The Muon Spectroscopy Computational Project (MSCP) is an initiative that currently includes members of the Theoretical and Computational Physics Group and the Data and Software Engineering Group in the Scientific Computing Department, STFC and members of the Muon Group at ISIS, STFC. The main objective of the MSCP is to support users of muon sources via the development of a sustainable and...
A Monte Carlo integration method has been developed in the Mantid data reduction package that calculates the multiple scattering intensity for a given structure factor, sample shape and instrument definition. The calculation works for both elastic and inelastic instruments (both Direct and Indirect geometries).
The calculation is based on the Fortan DISCUS program that was previously...
