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Open Access
Abstract: We provide a historical introduction spanning the past 50 years of synchrotron radiation protein crystallography. We then provide a resume of current trends. These help us to celebrate the huge influence that synchrotron radiation, and now X-ray lasers, has had on the scope of protein crystallography. It has also accelerated the development of closely allied methods such as neutron protein crystallography, which has adopted the synchrotron Laue method as its own as well as developing monochromatic and time-of-flight methods. Also, the democratic access to central synchrotron facility beamlines has prompted similarly operated centres of electron cryo-microscopy and micro-electron diffraction. We offer our thoughts on the current trends across this scientific landscape.
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Jan 2026
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Open Access
Abstract: In this paper we discuss adaptations to the BioLogic stopped-flow module (SFM)-400 stop-flow rapid mixing apparatus to enhance reliability for use on a small angle X-ray scattering (SAXS) beamline. Issues with the standard capillary holders are discussed and a 3D printed alternative is presented. The reliability of the new design against leakage is reported. Alternate resins with enhanced solvent tolerance are trialled and discussed.
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Dec 2025
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Adam
Round
,
Pierre
Aller
,
Richard
Bean
,
Johan
Bielecki
,
Agata
Butryn
,
Nicholas E.
Devenish
,
Raphael
De Wijn
,
Thomas
Dietze
,
Katerina
Doerner
,
Fabio
Dall'Antonia
,
Gabriele
Giovanetti
,
Huijong
Han
,
Vincent
Hennicke
,
Chan
Kim
,
Yoonhee
Kim
,
Marco
Kloos
,
Jayanath C. P.
Koliyadu
,
Gabriel
Leen
,
Romain
Letrun
,
Luis
Lopez Morillo
,
Allen M.
Orville
,
Tim
Pakendorf
,
Marco
Ramilli
,
Nadja
Reimers
,
Patrick
Reinke
,
Juan
Sanchez-Weatherby
,
Tokushi
Sato
,
Robin
Schubert
,
Joachim
Schulz
,
Cedric
Signe Takem
,
Marcin
Sikorski
,
Prasad
Thute
,
Fabian
Trost
,
Oleksii
Turkot
,
Patrik
Vagovic
,
Mohammad
Vakili
,
Raul
Villanueva Guerrero
,
Henry N.
Chapman
,
Alke
Meents
,
Serguei
Molodtsov
,
Sakura
Pascarelli
,
Thomas
Tschentschera
,
Adrian
Mancuso
,
Pontus
Fischer
,
Sebastian
Guenther
Open Access
Abstract: The Single-Particle, Clusters and Biomolecules and Serial Femtosecond Crystallography (SPB/SFX) scientific instrument at the European X-Ray Free-Electron Laser (EuXFEL) became operational with user experiments in September 2017. The unique properties and capabilities of the EuXFEL, enabling megahertz data collection rates, provide more rapid data collection with improved statistics compared with other XFEL facilities. This improves the feasibility of obtaining multiple data points in time-resolved experiments and hence enables the observation of reactions in greater detail (molecular movies). In collaboration with the SFX User Consortium (SFX UC), the SPB/SFX instrument was designed to further increase user access and research outcomes. Focusing the pulses downstream of the first interaction region [described previously (Mancuso et al., 2019)], a second experiment plane is enabled, which allows for greater optimization and more efficient usage of available beam time. Additionally, the SFX UC provided further instrumentation to provide improved capabilities on SPB/SFX. The aim for additional and extended functionality for the second interaction region was to enable sample-efficient data collection at atmospheric pressure in an environment where the sample temperature and humidity can be controlled. This paper describes the extended capabilities of the downstream interaction region of the SPB/SFX instrument and its major components, in particular its X-ray focusing optics, vacuum to atmospheric pressure out-coupling, available sample delivery methods and 2D detector, and the supporting optical laser systems for pump–probe experiments.
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Nov 2025
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I14-Hard X-ray Nanoprobe
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Diamond Proposal Number(s):
[34086]
Open Access
Abstract: Compared with conventional laboratory-scale X-ray techniques, synchrotron based X-rays with higher brilliance and higher coherence allow for the investigation of various material properties with high spatial resolution. The microscopic behaviours of materials can be examined using the Hard X-ray Nanoprobe beamline (I14) at Diamond Light Source, which provides a 50 nm focused beam and has been successfully employed to identify nanoscale optoelectronic features in energy-harvesting materials such as halide perovskites that exhibit local heterogeneity. We have developed X-ray beam-induced current (XBIC) measurement capability at I14 to address the growing demand for operando analysis in energy-harvesting research. Here, we demonstrate that X-ray fluorescence (XRF)/XBIC multimodal measurements are feasible at I14 and apply these newly implemented techniques to study perovskite solar cells with various additive concentrations to understand the effect of the additive on nanoscale optoelectronic performance. This expanded operando characterization capability offers the possibility of monitoring nanometre-scale compositional variations and corresponding optoelectronic features of actual solar cell configurations.
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Sep 2025
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Terence
Tan
,
Balázs
Bagó
,
Sebastian
Busch
,
Renaud
Duyme
,
Guillaume
Gaisné
,
Alejandra Noemí
González Beltrán
,
Heike
Görzig
,
Giannis
Koumoutsos
,
Rolf
Krahl
,
Paul
Millar
,
Carlo
Minotti
,
Melanie
Nentwich
,
Lajos
Schrettner
,
Kirsty
Syder
,
Philippe
Rocca-Serra
,
Susanna-Assunta
Sansone
,
Stephen P.
Collins
Open Access
Abstract: The Photon and Neutron Experimental Techniques (PaNET) ontology was released in 2021 as an ontology for two major European research infrastructure communities. It provides a standardized taxonomy of experimental techniques employed across the photon and neutron scientific domain, and is part of a wider effort to apply the FAIR (findable, accessible, interoperable, reusable) principles within the community. Specifically, it is used to enhance the quality of metadata in photon and neutron data catalogue services. However, PaNET currently relies on a manual definition approach, which is time consuming and incomplete. A new structure of PaNET is proposed to address this by including logical frameworks that enable automatic reasoning as opposed to the manual approach in the original ontology, resulting in over a hundred new technique subclass relationships that are currently missing in PaNET. These new relationships, which are evaluated by the PaNET working group and other domain experts, will improve data catalogue searches by connecting users to more relevant datasets, thereby enhancing data discoverability. In addition, the results of this work serve as a validation mechanism for PaNET, as the very process of building the logical frameworks, as well as any incorrect inferences made by the reasoner, has exposed existing issues within the original ontology.
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Sep 2025
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I20-Scanning-X-ray spectroscopy (XAS/XES)
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Ramesh
Rijal
,
Jack
Stephens
,
Daniel
Sier
,
Nicholas T. T.
Tran
,
Truong V. B.
Nguyen
,
Jonathan W.
Dean
,
Pierce
Bowman
,
Minh
Dao
,
Paul
Di Pasquale
,
Tony
Kirk
,
Chanh Q.
Tran
,
Shusaku
Hayama
,
Matteo
Aramini
,
Nitya
Ramanan
,
Sofia
Diaz-Moreno
,
Christopher T.
Chantler
Open Access
Abstract: This study of manganese (Mn, Z = 25) introduces a novel combination of extended-range high energy resolution fluorescence detection (XR-HERFD), multiple-crystal spectrometers and advanced binary data splicing techniques to address challenges in X-ray emission spectroscopy. XR-HERFD enhances spectral precision by utilizing high-resolution crystal analysers and optimized detector configurations. The systematic application of these methods using multiple Bragg crystal analysers at Diamond Light Source has led to substantial improvements in data quality. Simultaneously, advanced binary data splicing integrates multiple datasets to correct distortions and improve resolution, resulting in sharper spectral features. Our results show a significant increase in peak counts and a notable reduction in full width at half-maximum (FWHM), with peak amplitudes increasing by 83% and resolution improving by 46%. These developments provide greater detail for X-ray absorption or emission spectra, offering valuable insights into complex materials, and permitting advances and breakthroughs in atomic relativistic quantum mechanics, chemical sensitivity of atomic transitions and modelling of solid-state effects.
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Jul 2025
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Optics
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Open Access
Abstract: A study on the thermal load of cryogenically cooled silicon in synchrotron double-crystal monochromators is presented, based on experimental data from four different beamlines at Diamond Light Source. Different amounts of power are deposited on the first monochromator crystal by varying the storage ring current. The resulting crystal deformation causes a decline in the diffraction efficiency when power and power density are above threshold values. The results are compatible with an analytical model of thermo-mechanical deformation. Acceptable monochromator heat load values are determined with this model, to ensure optimal function of the monochromator. This model, previously tested against finite element analyses, is now validated against measured data and it will be used as a tool for initial analysis of monochromator performance on upgraded photon sources.
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Jul 2025
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Optics
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Open Access
Abstract: The plane grating monochromator (PGM) is an optical instrument used in the majority of soft X-ray beamlines. Despite its ubiquity, the PGM efficiency can easily be overestimated, because the geometry of many modern PGMs can lead to unexpected blocking of the beam. We have developed a new workflow in Python for simulating PGMs, thus extending the capabilities of SHADOW3, a well established ray tracing software tool. We have used our method to simulate the flux on branch C of the Versatile Soft X-ray (VerSoX) beamline B07 at Diamond Light Source. The simulation results demonstrate qualitative agreement with the experimental measurements, confirming the robustness of the proposed methodology.
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Jul 2025
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Accelerator Physics
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Younes
Chahid
,
Carolyn
Atkins
,
Stephen
Hodbod
,
John
Robinson
,
Xia
Liu
,
Stephen
Watson
,
Maia
Jones
,
Mark
Cliffe
,
Dayo
Ogunkanmi
,
Richard
Kotlewski
,
Lee
Chapman
,
Scott
Beamish
,
Jorge
Linde Cerezo
,
Thomas
Wearing
,
Ahmad
Baroutaji
,
Arun
Arjunan
,
Chantal
Fowler
,
Paul
Vivian
Open Access
Abstract: Many of the 70 synchrotron facilities worldwide are undergoing upgrades to their infrastructure to meet a growing demand for increased beam brightness with nanometre-level stability. These upgrades increase the mechanical and thermal challenges faced by beamline components, creating opportunities to apply novel methodologies and manufacturing processes to optimize hardware performance and beam accuracy. Absorbers are important beamline components that rely on water-cooled channels to absorb thermal energy from excess light caused by synchrotron radiation or photon beams created by insertion devices, all within a limited volume, to protect downstream equipment and ensure safe, reliable operation. Additive manufacturing (AM) has been shown to meet criteria relevant to synchrotron environments like leak tightness and vacuum compatibility. However, there is a research gap on the heat transfer and pressure drop impact of different AM conformal cooling channel geometries, as well as the print quality of AM copper parts using low-power infrared lasers and their compliance with absorber requirements. In this study, an intermediate model of a Diamond Light Source photon absorber was optimized to incorporate AM conformal cooling channels, leading to two concept designs named `Horizontal' and `Coil'. When compared with the baseline design, the lightweight Horizontal concept performed the best in this study, with simulations showing a maximum temperature drop of 11%, a calculated pressure drop reduction of 82%, a mass reduction of 86%, and the consolidation of 21 individually brazed pipes into a single manifold. The AM print quality and compliance with the synchrotron environment was examined by producing custom benchmark artefacts and measuring their surface roughness, dimensional accuracy and porosity levels, which are characteristics that can affect heat absorption, structural integrity, thermal conductivity and vacuum performance. The study demonstrates the benefits and addresses outstanding challenges in reducing thermal fatigue, as well as the size, vibrations and energy consumption of AM absorbers.
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Jul 2025
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Optics
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Open Access
Abstract: We provide a technical description and experimental results of the practical development and offline testing of an innovative, closed-loop, adaptive mirror system capable of making rapid, precise and ultra-stable changes in the size and shape of reflected X-ray beams generated at synchrotron light and free-electron laser facilities. The optical surface of a piezoelectric bimorph deformable mirror is continuously monitored at 20 kHz by an array of interferometric sensors. This matrix of height data is autonomously converted into voltage commands that are sent at 1 Hz to the piezo actuators to modify the shape of the mirror optical surface. Hence, users can rapidly switch in closed-loop between pre-calibrated X-ray wavefronts by selecting the corresponding freeform optical profile. This closed-loop monitoring is shown to repeatably bend and stabilize the low- and mid-spatial frequency components of the mirror surface to any given profile with an error <200 pm peak-to-valley, regardless of the recent history of bending and hysteresis. Without closed-loop stabilization after bending, the mirror height profile is shown to drift by hundreds of nanometres, which will slowly distort the X-ray wavefront. The metrology frame that holds the interferometric sensors is designed to be largely insensitive to temperature changes, providing an ultra-stable reference datum to enhance repeatability. We demonstrate an unprecedented level of fast and precise optical control in the X-ray domain: the profile of a macroscopic X-ray mirror of over 0.5 m in length was freely adjusted and stabilized to atomic level height resolution. Aside from demonstrating the extreme sensitivity of the interferometer sensors, this study also highlights the voltage repeatability and stability of the programmable high-voltage power supply, the accuracy of the correction-calculation algorithms and the almost instantaneous response of the bimorph mirror to command voltage pulses. Finally, we demonstrate the robustness of the system by showing that the bimorph mirror's optical surface was not damaged by more than 1 million voltage cycles, including no occurrence of the `junction effect' or weakening of piezoelectric actuator strength. Hence, this hardware combination provides a real time, hyper-precise, temperature-insensitive, closed-loop system which could benefit many optical communities, including EUV lithography, who require sub-nanometre bending control of the mirror form.
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Dec 2024
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