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.

Recent Submissions

  • Thumbnail Image
    Scripts for Benchmarking SASfit Hankel Transform Strategies
    (2026) Huntley, Jessica; Protopapa, Letizia
    This directory contains scripts for running benchmarks of the Hankel Transform strategies available in SASfit, for three different form factor functions: 'g_dab', 'broad_peak', and 'spheres'. The scripts are written in Python, and call functions from the SASfit package (https://github.com/SASfit/SASfit). To run the benchmarks, SASfit must be installed, and the environment variable $SASFIT_LOCATION set to the top level of the SASfit directory.
  • Thumbnail Image
    Data for PRAB ZG10216 'Modular quadrupole array capture line for plasma-accelerated electrons'
    (2026-03-19) Muratori, Bruno; Angal-Kalinin, Deepa; Bainbridge, Alexander; Crone, Joe; Hill, Clive; Jones, James; Owen, Hywel; Pacey, Thomas; Saveliev, Yuri; Thompson, Neil; Symes, Daniel; Bourgeois, Nicolas; Finlay, Oliver
    Simulation and engineering data to support publication PRAB ZG10216 'Modular quadrupole array capture line for plasma-accelerated electrons'
  • Thumbnail Image
    FusionKnowledge_CategorisedEntities
    (2026-03-11) Loreti, Andrea; Chen, Kesi; George, Ruby; Firth, Robert; Agnello, Adriano; Tanaka, Shinnosuke
    - Dataset Description This dataset contains categorised entities relevant to nuclear fusion energy. - Data Source Entities were extracted from 8358 scientific abstracts from journal articles related to nuclear fusion energy and associated metadata such as: authors, keywords, publication year and scholarly citation count. Data sources were identified by accessing the archive of scholarly publications at www.lens.org via dedicated API. We used Llama3.1 or Llama 3.3 by Meta, deployed on Amazon Web Services (AWS) equipped with 405 and 70 billion parameters, respectively (meta.llama3-1-405b-instruct-v1:0 and meta.llama3-3-70b-instruct-v1:0). - Data Structure and Size Data are in json format. Total size 55MB. - Intended Use This dataset is intended for: i) construction of a knowledge graph or ontology, ii) Named Entity Recognition (NER) experiments, iii) studies concerning natural language processing. - Reference arXiv:2504.07738 - License cc-by-4.0
  • Thumbnail Image
    Lightsheet collagen development data
    (2026-02-18) Lees, Robert
    Leica Image File with images of various dimensions show collagen
  • Thumbnail Image
    Leica Image File for data model development
    (2026-02-13) Hirsch, Michael; Lees, Robert
    A data set created with a Leica SP8 Digital Lightsheet microscope.
  • Thumbnail Image
    Dataset supporting the publication: "Vibrational spectroscopy and computational studies of cubane-1,4-dicarboxylic acid" published in Molecules (2026).
    (2026) Parker, Stewart; Tellam, James; Youngs, Sarah
    This dataset supports the publication: Vibrational spectroscopy and computational studies of cubane-1,4-dicarboxylic acid", (Stewart F. Parker, James P. Tellam and Sarah E. Youngs, Molecules(2026)). The dataset consists of this file (README_Parker_Cubane-DCA_dataset.txt), four zip files: "A-Cubane-DCA_Experimental_spectra.zip", "B-Cubane-DCA_CASTEP.zip", "C-Cubane-DCA_AbINS.zip", "D-Cubane-DCA_CASTEP_convergence.zip", "E-Cubane-DCA_NMR_data.zip" and an image file (Cubane-DCA_TOC.jpg). The README describes the contents of the archive. A-Cubane-DCA_Experimental_spectra.zip contains the solid-state infrared, Raman and inelastic neutron scattering spectra. B-Cubane-DCA_CASTEP.zip contains the input and output files for the CASTEP calculation (geometry and vibrational transition energies) of the complete unit cell of cubane-1,4-dicarboxylic acid at the experimental lattice parameters. It also includes input and output files for the CASTEP calculation (geometry and vibrational transition energies) of idealised cubane with octahedral symmetry in a cubic lattice. D-Cubane-DCA_CASTEP_convergence.zip contains a series of convergence tests. E-Cubane-DCA_NMR_data.zip contains 1H and 13C NMR spectra of the compound and its carboxylic acid deuterated (D2) isotopomer.
  • Thumbnail Image
    Extension to Data for: The use of FLIM for characterising chromosomes and their structure in response to low-dose X-ray irradiation
    (2026-01-17) Botchway, Stanley
    more files and extension to - https://doi.org/10.5286/edata/959 .In this repository are the raw and analysed data presented in the paper titled above. The experimental conditions are highlighted in the following published articles. 1. Botchway SW, Parker AW, Bisby RH, Crisostomo AG. Real-time cellular uptake of serotonin using fluorescence lifetime imaging with two-photon excitation. Microscopy Research and Technique [Internet]. 2008 [cited 2025 Sep 9];71(4):267–73. Available from: https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/jemt.20548 2. Ahmed A, Schoberer J, Cooke E, Botchway SW. Multicolor FRET-FLIM Microscopy to Analyze Multiprotein Interactions in Live Cells. Methods in molecular biology [Internet]. 2020 Dec 10 [cited 2025 Sep 9];287–301. Available from: https://link.springer.com/protocol/10.1007/978-1-0716-1126-5_16 3. Stubbs CD, Botchway SW, Slater SJ, Parker AW. The use of time-resolved fluorescence imaging in the study of protein kinase C localisation in cells. BMC Cell Biology [Internet]. 2005 Apr 26 [cited 2025 Sep 9];6(1). Available from: https://bmcmolcellbiol.biomedcentral.com/articles/10.1186/1471-2121-6-22 4. Estandarte AK, Botchway S, Lynch C, Yusuf M, Robinson I. The use of DAPI fluorescence lifetime imaging for investigating chromatin condensation in human chromosomes. Scientific Reports [Internet]. 2016 Aug 16 [cited 2025 Sep 9];6(1). Available from: https://www.nature.com/articles/srep31417 5. Berger SL, Phengchat R, Botchway SW, Yusuf M. Optimizing chromosome yield: a comparative analysis of harvesting, preparation and waste recovery methods. BioTechniques [Internet]. 2025 Jun 3 [cited 2025 Sep 9];77(5-6):245–56. Available from: https://www.tandfonline.com/doi/full/10.1080/07366205.2025.2536438?src=exp-la Note: this deposit continues: https://doi.org/10.5286/edata/959
  • Thumbnail Image
    Data for: The inner-shell ionization and fragmentation of selenophene at 120 eV
    (2026-01-13) Walmsley, Tiffany; Allum, Felix; Harries, James; Kumagai, Yoshiaki; McManus, Joseph; Nagaya, Kiyonobu; Britton, Mathew; Brouard, Mark; Bucksbaum, Philip; Fushitani, Mizuho; Gabalski, Ian; Gejo, Tatsuo; Hockett, Paul; Howard, Andrew; Iwayama, Hiroshi; Kukk, Edwin; Lam, Chow-shing; Minns, Russell; Niozu, Akinobu; Nishimuro, Sekito; Niskanen, Johannes; Owada, Shigeki; Razmus, Weronika; Rolles, Daniel; Somper, James; Ueda, Kiyoshi; Unwin, James; Wada, Shin-ichi; Woodhouse, Joanne; Forbes, Ruaridh; Burt, Michael; Warne, Emily
    The file in this repository (aq386.h5) is the data presented in the paper titled above. This study used time-of-flight velocity map ion imaging to measure the three-dimensional momentum distributions of ions produced following site-selective ionization of selenophene at the Se 3d orbitals. Covariance analysis was used to extract the relative abundances and recoil dynamics of over 50 fragmentation pathways, including two-body and many-body (3+) fragmentation channels of molecular polycations. The experimental conditions used in this study are the same as those described in the following published articles [https://iopscience.iop.org/article/10.1088/1361-6455/ad8799, https://doi.org/10.1039/D2CP03029B]. The data was recorded at the soft X-ray beamline (BL1) of the Spring-8 Compact Angstrom free electron Laser (SACLA) in Japan in December 2022 during the beamtime for proposal number 2022B8048. The data uploaded are constructed from the three delay-line layers of the RoentDek hexanode delay line detector used in the experiment. The data includes the following information (which can be viewed using a hdf5 viewer such as the online https://myhdf5.hdfgroup.org/): ‘delay_calibrated’, ‘delay_jitter’, ‘delay_motor’, ‘delay_offset’ – these parameters are for time-resolved pump probe measurements. However, this dataset is not time-resolved and so these values can be disregarded; ‘fel_intensity’, ‘fel_shutter’, fel_status’ – parameters defining the operation status of the free electron laser; ‘laser shutter’ – optical lasers were not used in this measurement and so this value can be disregarded; ‘nions’, ‘nlistpos’, ‘tagevent’, ‘tma_flag’ – parameters defining the count rate conditions of the experiment. ‘tagevent’ is the laser shot identifying number given to groups of ions produced within the same laser shot; ‘tof’, ‘xpos’, ‘ypos’ – the time-of-flight, x-position, and y-position of ions hitting the position-sensitive detector. These values are used to calculate the three-dimensional momentum information for each ion hitting the detector per laser shot.
  • Thumbnail Image
    Training data, model, and results for "Computational tuning of the elastic properties of low- and high-entropy ultra-high temperature ceramics"
    (2025) Magorrian, Samuel; Stojanović, Ljiljana; Kabalan, Lara; Shkurti, Ardita; White, Richard; Thiemann, Fabian; Zólyomi, Viktor
    This dataset contains: (i) training data, in plaintext xyz format, created via density functional theory simulations (ii) weights for resulting trained MACE-UHTC model (finetuned from MACE-MPA0 as a starting point) (iii) Results of simulations of the properties of group 4 and 5 transition metal rocksalt carbides using the trained model which are described in the forthcoming article “Computational tuning of the elastic properties of low- and high-entropy ultra-high temperature ceramics” If you use the model and/or any of the data, you must cite the associated preprint/article when available.
  • Thumbnail Image
    Data for: The use of FLIM for characterising chromosomes and their structure in response to low-dose X-ray irradiation
    (2025-12-12) Botchway, Stanley; Yusuf, Mohammed; Berger, Sarah; Mohammed, Rosie; Bhartiya, Archana; Phengchat, Rinyaporn; Barnard, Stephen; Bateman, Benji; Robinson, Ian
    The files in this repository are the raw and analysed data presented in the paper titled above. The experimental conditions are highlighted in the following published articles. We applied these methods to different DNA stains bound to chromosomes where only DAPI led to a clear lifetime difference between the chromosome arms (p,q). Our data showed that chromosomes of cells irradiated with 0.1 Gy and 1 Gy did not show a significant change in lifetimes. These findings indicate that DAPI FLT may be a useful tool to measure chromosomal structural changes and further suggests that chromosomes undergo distinct structural changes at the pericentromeric region following low-dose irradiation. Note: this deposit is continued by: https://doi.org/10.5286/edata/962