eData: the STFC Research Data Repository

Welcome to eData, the digital archive that collects, preserves, and makes available research data produced or collected by STFC staff.

Departments in eData

Select a department to browse its collections.

ASTeC
Accelerator Science and Technology Centre
CLF
Central Laser Facility
Hartree Centre
The Hartree Centre
ISIS
ISIS Neutron and Muon Source
NQCC
National Quantum Computing Centre
PPD
Particle Physics Department
RAL Space
RAL Space
SCD
Scientific Computing Department
Technology
Technology Department
UKATC
United Kingdom Astronomy Technology Centre

Recent Submissions

Low-frequency contributions in the radiative efficiencies of HFC-236fa, HFC-245fa and HFC-43-10mee over the 225 - 298 K temperature range
(2025-12-02) Alvarado-Jiménez, Daniela; Tasinato, Nicola; Brownsword, Richard; Weidmann, Damien; Buizza, Roberto; Shine, Keith
Hydrofluorocarbons (HFCs) are used as substitutes for ozone-depleting substances regulated under the Montreal Protocol. While having zero ozone depletion potential, HFCs strongly absorb infrared radiation, making them potent greenhouse gases. Vibrational modes associated with C--F stretching absorb strongly within the atmospheric window (750 --1250 cm-1), contributing substantially to radiative forcing. The low-frequency region (< 500 cm-1), which accounts for approximately 16% of the Earth’s thermal emission, has however remained largely unexplored mainly due to instrumental challenges. Here, we present the first experimental measurements of infrared (IR) absorption cross-sections in the 150--500~cm-1 range for HFC-236fa, HFC-245fa, and HFC-43-10mee - three industrially relevant compounds with high global warming potentials (GWPs). The spectra were recorded at the Rutherford Appleton Laboratory using a high-resolution Fourier-transform infrared (FTIR) spectrometer in the temperature range between 225 and 298 K at resolution of 0.25 cm-1. In addition, IR cross section spectra were simulated through quantum chemical (QC) calculations including a non-empirical treatment of anharmonic effects. From the experimental results, we derived radiative efficiencies (REs) in the low frequency region of 0.001, 0.005, and 0.003 Wm-2 ppbv-1 for HFC-236fa, HFC-245fa, and HFC-43-10mee, respectively, and revised global warming potentials over 20-, 100-, and 500-year time horizons. Comparison with values reported in the WMO Ozone Assessment Report 2022 reveals minor differences for HFC-245fa and HFC-43-10mee, whereas HFC-236fa shows a significant overestimation, corresponding to a discrepancy of approximately 700 units in the 100-year GWP. On the other hand, our theoretical predictions reproduced the experimental spectra with average deviations below 5%, confirming the reliability of the computational approach even in the low-frequency region. These findings highlight that small variations in the treatment of low-frequency absorptions can propagate into substantial contributions in climate metrics, particularly for long-lived compounds. Overall, this study provides a consistent experimental--theoretical framework for quantifying the radiative forcing of HFCs and reducing current uncertainties in the estimation of their climate-relevant parameters. The dataset comprises: (i) The corresponding raw transmission data of the HFCs measured by the spectrometer, for different sample pressures and temperatures. (ii) The derived experimental absorption cross-section data. The full details are in the associated paper to the data repository.
Characterisation and mitigation of RF knockout during beam stacking - ISIS experimental data
(2025-11-24) Jolly, Carl
Data used in the paper titled - Characterisation and mitigation of RF knockout during beam stacking The data consists of .tek and .npz binary files. The files have data keys "time" and "data". The data can be read into Python using the example script provided. The spreadsheet provides guide to each data file and its contents as well the relevant figure in the paper.
Residual SORS spectra of Historical Wet Collections
(2025-12-01) Mosca, Sara; Matousek, Pavel
Raman spectra discussed in the pubblication "Characterizing Noninvasively Conservation Status of Historical Wet Collections using Spatially Offset Raman Spectroscopy". The dataset consist in 3 different repetition for each sample. Data procesing is explained in detail in the linked paper. Briefly, the glass/container contribution (zero-displacement spectrum) was subtracted from the corresponding offset spectrum to isolate the preservation fluid signature (SORS spectrum). Each SORS spectrum was then compared to the appropriate reference standard fluid (e.g., ethanol 50%–70%, formaldehyde 4%–5%, see Table 1), and subtraction of the reference spectrum was performed to enhance minor spectral contributions. The so called "Residual" Raman spectra are here attached for the four example of historic samples discussed in the paper: (E1) a sample collected by Charles Darwin during the second voyage of HMS Beagle (1831–1836); (E2) a mid-20th century specimen from the former Wellcome Trust collection; (E3) a mixed fish sample from the museum’s “Tank Room,” from the late 20th century; and (E4) experimental preservation material of uncertain provenance and composition, dating from the early- to mid-20th century.
Simulation study of Low Frequency Radiation in a 3D Cavity produced by transit of wakefield bunch
(2025) Robinson, Alex
Simulation data produced using Vacuo3D for PPCF-105330 Organized accoring to simulations listed in paper (A1-A5, B1- B4) provides blcinp.dat : which gives the profile of the conducting cavity used and is a Vacuo input file readin.in : input deck probe.dat and probe2.dat : contain the time series of the E-field probe that was used to generate the spectra in the paper
Random number generator ordering by extreme event probability calculations
(2025-10-21) Lebedev, Anton; Yaman, Olha
This collection contains aggregated data used to investigate the effects of various random number generators on the quality and performance of extreme event simulations. The analysis was carried out using Quantum Dice's quantum random number generator (QRNG), the Mersenne Twister pseudo-random number generator (PRNG) and multiple linear congruential generators (LCG) in a sequential use case. All archives contain Snakemake workflows documenting the generation and evaluation process as well as simulation parameters. Jupyter notebooks within the archives demonstrate how to analyse the respective data. Archives referencing a mass contain workflows and aggregated data for a system of masses loosely coupled by harmonic springs. The data is used to analyse the probability of extreme sagging of the system below a predefined tolerance, resulting in a failure condition. In addition the archive contains the sample notebook used to evaluate the data. The archive referencing an SDE contains the collection of probabilities of a non-linear stochastic differential equation to evolve from a fixed initial position to an extremal configuration. The data consists of multiple workflows, each consisting of 100 repetitions of the SDE simulation for varying combinations of the threshold parameter and the number of trajectories simulated. A notebook used to compare the RNGs using the absolute approximation error is provided with the dataset.
Additional SMLM Data from "Reinforced optical cage systems enable drift-free single-molecule localization microscopy"
(2025) Tang, Matthew; Qiu, Hao; Roberts, Selene; Li, Guoli; Su, Rong; Martin-Fernandez, Marisa L; Clarke, David T; Liu, Shugang; Liu, Xiaojie; Wang, Lin
This dataset contains additional data for the paper titled 'Reinforced optical cage systems enable drift-free single-molecule localization microscopy' that has been generated to address reviewer comments. The dataset has the following: 1. Five image series' of fluorescent beads and their subpixel localisations in each frame, acquired with a homebuilt microscope. .tif files for images, .csv files for localization data. Used for axial drift and lateral drift quantification. 2. Five image series' of fluorescent beads and their subpixel localisations in each frame, acquired with a commercial microscope. .tif files for images, .csv files for localization data 3. STORM image series of HeLa cells with alpha-tubulin immunolabelled with antibodies conjugated to Alexa Fluor 647 acquired with a homebuilt microscope 4. STORM image series of HeLa cells with alpha-tubulin immunolabelled with antibodies conjugated to Alexa Fluor 647 acquired with a commercial microscope. 5. STORM image series of U2OS cells with Nup96-SNAP-AF647 and localisation data acquired with a homebuilt microscope. 6. STORM image series of U2OS cells with Nup96-SNAP-AF647 and localisation data acquired with a commercial microscope.
In Situ SORS spectra of Historical Preservation Fluids in Sealed Containers
(2025-10-30) Mosca, Sara; Matousek, Pavel
In situ Spatially Offset Raman Spectra of 46 historic sample measured at the Natural History Museum (London). The Raman spectra were collected using a handheld commercial SORS instrument (Resolve, Agilent Technologies, Oxfordshire, UK) through a historic jar unsing the matlab scrip presented below. In Addition, the calibration dataset made of the different mockup solution is shared in separete dataset. Three different datasets are provided consisting of the following: 1. SORS spectra of the 46 historica samples, pre-processed by external automatic routine (as described in the paper) (NHM-SORS-hystoric-data.csv) 2. SORS spectra o the 20 calibraion mock up soluion used for PCA analysis (CALIBRATION-DATASET-SORS-NHM.csv) 3. MATLAB scritp used to pre-procese the zero and offsed data extracted from Resolve and calculating the SORS spectra (sors-resolve-datascipt.docx)
Scanning electron microscopy images and energy dispersive X-ray spectroscopy of inclusions within AlSi10Mg mirrors created using additive manufacturing
(2025-10) Atkins, Carolyn; Tammas-Williams, Samuel; Laidlaw, Fraser H. J.; Westwood, Dominic; Aziz, Ilhan; Chahid, Younes; Snell, Robert M.; McPhee, Scott; Cowan, Jason
The data provided herein describes the evaluation of inclusions within the surfaces of six aluminium mirrors created using additive manufacturing in the alloy AlSi10Mg. The inclusions are frequently observed to cause scratches on the mirror surface and by identification, routes for mitigation can be provided. The inclusions were evaluated using scanning electron microscopy and energy dispersive X-ray spectroscopy and subsequently were observed to be either aluminium oxides or contaminating metal alloys. The mirrors utilised different additive manufacturing machines with different operation environments, which allow the data to inform on routes where contamination has occurred. The data are organised by sample (mirror) number and the evaluated inclusion, with individual files describing topography and spectroscopy. The mirrors were approx. 50 mm in diameter and between 5 and 10 mm in height. The equipment used was a Zeiss Crossbeam 550 FIB-SEM located at the University of Edinburgh. Five detectors on the FIB-SEM were used in data collection: InLens, SESI, ESD, BSD4 and EDS.
Additional SMLM Data from "Reinforced optical cage systems enable drift-free single-molecule localization microscopy"
(2025) Tang, Matthew; Qiu, Hao; Roberts, Selene; Li, Guoli; Su, Rong; Martin-Fernandez, Marisa L; Clarke, David T.; Liu, Shugang; Liu, Xiaojie; Wang, Lin
1. Five image series' of fluorescent beads and their subpixel localisations in each frame, acquired with a homebuilt microscope. .tif files for images, .csv files for localization data. Used for axial drift and lateral drift quantification. 2. Five image series' of fluorescent beads and their subpixel localisations in each frame, acquired with a commercial microscope. .tif files for images, .csv files for localization data 3. STORM image series of HeLa cells with alpha-tubulin immunolabelled with antibodies conjugated to Alexa Fluor 647 and localisation data, acquired with a homebuilt microscope. .tif files for images, .csv files for localization data 4. STORM image series of HeLa cells with alpha-tubulin immunolabelled with antibodies conjugated to Alexa Fluor 647 and localisation data, acquired with a commercial microscope. .tif files for images, .csv files for localization data 5. STORM image series of U2OS cells with Nup96-SNAP-AF647 and localisation data acquired with a homebuilt microscope. tif files for images, .csv files for localization data 6. STORM image series of U2OS cells with Nup96-SNAP-AF647 and localisation data acquired with a commercial microscope. .tif files for images, .csv files for localization data
Tracking boron coordination change with temperature in a barium borosilicate glass melt by neutron diffraction
(2025-10-02) Alderman, Oliver
Gudrun input files and numerical data for the neutron structure factors SN(Q) and total correlation functions TN(r). Pertaining to the publication Alderman, O.L.G., Tracking boron coordination change with temperature in a barium borosilicate glass melt by neutron diffraction, Phys. Rev. Mater., 2025: Accepted. DOI: https://doi.org/10.1103/slv2-dtwz The file Run_summary.txt relates the filenames to the sample compositions in the publication, the temperatures at which they were measured and the cell material, as well as to the leading run numbers for each 'sample' in the Gudrun input files. Note that in the original upload the SN(Q) mint01 files suffered from rounding errors. This has been corrected herein, on 02/10/2025.