cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-01084
title: Dataset for "A Novel In Situ High-Temperature Magnetometry Method for Radiofrequency Heating Applications"

description: The data provided here is for the electromagnetic heating of magnetite under radio-frequencies. The data includes that from material characterisation, in-situ magnetometry, calorimetry, in-situ power absorption measurement and arc-tangent modelling results. The data is aligned to the figures in the research publication and is intended that future researchers can make their own analysis based upon our work.
description: The data is collected using techniques described fully in the accompanying research article.
description: The data follows the figure numbers from the paper which should make it easy to navigate.
description: Further relevant documentation may be found in the following resources.

   Noble, J. P. P., Bending, S. J., Sartbaeva, A., Muxworthy, A. R., and Hill, A. K.,  2021.   A Novel In Situ High‐Temperature Magnetometry Method for Radiofrequency Heating Applications.    Advanced Energy Materials, 12(1), 2102515.  Available from: https://doi.org/10.1002/aenm.202102515.
DOI: 10.13145/bacdive2439.20240510.9
title: Halochromatium salexigens (Caumette et al. 1989) Imhoff et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01087
title: Dataset for "Air-entraining admixtures as a protection method for bacterial spores in self-healing cementitious composites: Healing evaluation of early and later-age cracks"

description: This dataset contains the experimental results obtained when evaluating the feasibility of using air-entraining agents (AEAs) as an economical and straightforward encapsulation method for bacterial spores in bacteria-based self-healing cementitious materials when cracks (~ 0.50 mm) are formed at an early (28 days) or later age (9 months). 
The data included here corresponds to the following test methods:
1) Determination of air-content (BS EN 1015-7 (Method A- Pressure method)).
2) Flowability (BS EN 1015-3).
3) Compressive and flexural strength of mortar specimens (BS EN 1015-11).
4) Images and data used for determining the mean healing ratio of the complete cracks using image binarization. 
5) Crack healing (%) as a function of the initial crack width for mortar specimens cracked after 28-days or 9-months of curing.
6) Improvement in water penetration resistance following RILEM test method 11.4.
7) Raman spectroscopy for 9-months-old mortar specimens after a healing period of 56 days.
8) Images and data used for determining the micro-bubbles total area and size distribution.
description: The methodology for this dataset is contained in the associated paper.
DOI: 10.15125/bath-01088
title: Simulation data for toppling and height probabilities in sandpiles

description: This dataset provides simulation data used in analyzing the results in Chapter 3 simulation results in the thesis Critical Exponents in Sandpiles by Minwei Sun. This dataset contains simulation data in 2d, 3d, 5d, and 32d in folders named sandpile_data_xd. The characteristics simulated include the toppling probability, the number of waves, and the height probability at the origin.
description: This dataset contains simulation data in 2d, 3d, 5d, and 32d in folders named sandpile_data_xd.

In 2d, we simulate the sandpile model in a box size of 2L x 2L both with periodic boundary conditions for systems with L = 512, 1024, 2048, and 4096 with sample sizes 2 × 10^7, 1.5 × 10^7, 3 × 10^6, and 7.5 × 10^5, and with Dirichlet boundary conditions for systems with L = 512, 1024, 2048, 4096, and 8192 with sample sizes 6 × 10^7, 3 × 10^7, 7.5 × 10^6, 4 × 10^6, and 10^6, respectively. 

The characteristics simulated include the toppling probability, the number of waves, and the height probability at the origin.

In 3d, we generate the data of the toppling probability with Dirichlet boundary conditions for systems with L = 32, 64, 128, and 256 with sample sizes 8 × 10^7, 2 × 10^7, 4.5 × 10^6, and 4 × 10^6.

In 5d, we simulate the toppling probability using hashing in the box with radius L = 32. The number of samples taken was 4 × 10^7, with approximately 400 samples discarded due to a full hashtable.

In 32d, we simulate the height probability at the origin using hashing for a system with L = 128 with a sample size 4 × 10^6.

We check our results in two ways to confirm that our methods give results consistent with earlier work. One uses the data to agree with some exponents in the earlier work in 2d and 3d. In 2d, the data are in out files called xxxsink-cluster-origin-aaa with L = xxx, and the overall averages are in text files named by s-origin-2d-average and s-distinct-origin-2d-average. In 3d, the data are in out files called 3d-xxxsink-cluster-origin with L =xxx, and the overall averages are in text files called s-origin-3d-average and s-distinct-origin-3d-average. On the other hand, we check that our methods yield the known height probabilities in 2d with L = 4096 in Dirichlet boundary conditions. The data used are in the text files called probability4096sink-aaa, and the overall average height probability is in the text file named probability4096sink-average. The number of samples generated in each file is 5 x 10^4. There are 80 files in total, so the total sample size is 4 x 10^6.
DOI: 10.15125/bath-01089
title: Dataset for "Soliton dynamics in lithium niobate nano-waveguides"

description: This dataset contains simulated data and data from analytic predictions of soliton propagation in lithium niobate nano-waveguides. The data is grouped into four folders: two of these contain animations of simulated soliton and pulse propagation, the other two contain simulated and predicted data for soliton propagation under the influence of the Raman effect. These data are provided to aid the understanding of thesis and are in addition to other datasets produced for the publication of the work previously (see documentation section for more info).
description: The simulation data contained within this archive were produced by numerical simulation of pulse propagation in lithium niobate nano-waveguides. This simulation was done using the well known split-step Fourier method. The visualisation of the results shown for figures 4-4 and 4-5 are produced by the commonly used XFROG (cross-correlation frequency resolved optical gating) spectrogram in which both spectral and temporal features of the simulation can be observed at once. Simulation data for figures 5-7 and 5-8 are given in both the time and frequency domains and predictions are made using the theory we have developed for self-frequency shift in two-component solitons. 

All these methods are explained in more detail in the thesis to which this dataset is associated.
description: The thesis "Soliton dynamics in lithium niobate nano-waveguides" contains three research chapters with the majority of their content copied verbatim from three publications. These publications have their own archived datasets and so the majority of the research data from the thesis is contained within those pre-existing datasets. This dataset provides research data  for parts of the thesis that were not contained within those three publications and is therefore missing from the pre-existing datasets. Links to the three pre-existing datasets can be found in the 'Related datasets and code' section of this dataset.
DOI: 10.13145/bacdive2440.20240510.9
title: Halochromatium glycolicum (Caumette et al. 1997) Imhoff et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01090
title: Dataset for "Superconducting Quantum Interference in Twisted van der Waals Heterostructures"

description: The dataset represents the results of electrical measurement that underpin the figures in the main manuscript and supplementary materials of "Superconducting Quantum Interference in Twisted van der Waals Heterostructures" Nano Lett. 2021, 21, 6725−6731. This manuscript describes the use of dry stamping technologies to create 2H-NbSe2 van der Waals heterostructures with twisted interfaces. We show that these behave as Josephson junctions whose I-V characteristics depend systematically on twist angle. We have developed a fabrication protocol to pattern these into Superconducting QUantum Interferometer Device (SQUID) structures containing two junctions coupled in a superconducting loop, and show that these behave as high quality DC SQUIDs with high current modulation levels in an applied an magnetic field. The archived data represent current-voltage characteristics of our Josephson Junctions and SQUIDs as a function of temperature, magnetic field and twist angle.  These have been captured to establish the damping regime the junctions are operating in and to characterise the performance of SQUIDs fabricated from them.
description: Data either represent the raw experimental datafiles as captured with our measurement apparatus, or as parameter extracted directly from these raw data files using standard fitting practices.
description: N/A
description: Data were collected using a Keithley 2400 source measure unit and a Kepco BOP 50-8 bipolar power supply controlled with LabVIEW code. Samples were cooled in a JANIS Research SHI-4-1 crocooler system pumped with a Leybold TURBOLAB80-FF-ISO pump.
description: All data uploaded as readily accessible text files.
DOI: 10.13145/bacdive2441.20240510.9
title: Halochromatium roseum Anil Kumar et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01092
title: Dataset for "Machine learning and semi-empirical calculations: A synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction"

description: Modern quantum mechanical modelling methods, such as Density Functional Theory (DFT), have provided detailed mechanistic insights into countless reactions and have been used in the design of a handful of chemical transformations. However, their computational cost inhibits their ability to rapidly screen large numbers of substrates and catalysts in reaction discovery. For a C-C bond forming Nitro-Michael addition, we introduce a synergistic semi-empirical quantum mechanical (SQM) and machine learning (ML) approach that achieves the fast and accurate prediction of DFT-quality free energy activation barriers using purely SQM-derived data. This dataset includes all the structural data, in the form of Gaussian16 (Revision A.03) output files, for the Nitro-Michael reaction used for this machine learning analysis.
description: Uncatalysed reactant and transition state geometries for 1000 Nitro-Michael addition reactions were built using Schrödinger’s R-Group Enumeration by varying at four positions of a generic Michael acceptor core with common organic fragments. In addition to the nucleophile, uncatalysed reactant and transition state geometries for a further 37 biologically important Nitro-Michael addition reactions from literature were built in Gaussian16 (Revision A.03). All reactant and transition state structures were conformationally searched using Schrödinger’s MacroModel (version 12.7). All structures were subsequently optimised using Gaussian16 (Revision A.03) using several different molecular modelling methods.
DOI: 10.15125/bath-01096
title: Interview transcripts of addiction therapists and recovering drug service users

description: This dataset includes anonymised transcripts of in-depth interviews with 7 addiction therapists and 7 recovering drug service users. All names in the interviews are pseudonyms. The interviews were collected in order to access people's lived experience perspectives of relapse into substance misuse, with semi-structured questions focusing on the felt experience of relapse as well as the perceptions of recovery thereafter.
description: This study used interpretative phenomenological analysis. Data were collected using individual, semi-structured interviews with 14 participants. The sample was recruited purposively to ensure access to the desired data (i.e., the phenomenon of interest). Participant criteria as well as a semi-structured interview guide were designed. Each interview lasted between 1.5 and 2 hrs and was audio recorded, transcribed verbatim, anonymised by using pseudonyms and subsequently analysed. This dataset includes all 14 transcripts in MS Word format. All names referred to in these documents are pseudonyms.
DOI: 10.13145/bacdive2445.20240510.9
title: Marichromatium gracile (Strzeszewski 1913) Imhoff et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01093
title: Data sets for "Structural model for amorphous aluminosilicates"

description: Data sets used to prepare Figures 1-17 in the Journal of Chemical Physics article entitled "Structural model for amorphous aluminosilicates." The data sets describe the structure of various aluminosilicate glasses.
description: The data sets were collected using the methods described in the published paper.
description: The data sets were analysed using the methods described in the published paper.
description: The figures were prepared using QtGrace (https://sourceforge.net/projects/qtgrace/). The data set corresponding to a plotted curve within an QtGrace file can be identified by clicking on that curve.
description: The files are labelled according to the corresponding figure numbers. The units for each axis are identified on the plots.
DOI: 10.15125/bath-01099
title: Dataset for chapter "Quality and Bias"

description: Dataset is a MATLAB program, and its output, for the graphs illustrating in Davenport's chapter "Quality and Bias" in the BCS-published book, edited by Adam Leon Smith, on "Artificial Intelligence and Software Testing".  They are provided here, and linked from the book, to allow readers to experiment.
description: This dataset goes with the graphs on Simpson's paradox in Davenport's chapter in the BCS-published book, edited by Adam Leon Smith, on "Artificial Intelligence and Software Testing".

The .m file generates the .fig, from which the .jpg was saved. No additional manipulations were performed on the .fig between generation and saving the .jpg. 1729 (Hardy's taxi number) is explicitly set as the seed to ensure reproducibility.

Data generated 14 November 2021, and images signed off 8 December 2021.
DOI: 10.13145/bacdive2448.20240510.9
title: Marichromatium gracile (Strzeszewski 1913) Imhoff et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01100
title: Dataset for "Micro-lensed negative-curvature fibre probe for Raman spectroscopy"

description: This dataset contains data supporting the results presented in the paper "Micro-lensed negative-curvature fibre probe for Raman spectroscopy". It includes the data used to plot each figure (in .txt format).

We have developed a novel miniature micro-lensed fibre probe for Raman spectroscopy. The fibre probe consists of a single negative-curvature fibre (NCF) and a spliced, cleaved, micro-lensed fibre cap. Using a single NCF, we have minimized the generated Raman background from the silica and maintained the diameter of the probe to be less than 0.5 mm. In addition, the cap provided fibre closure by blocking the sample from entering the hollow parts of the fibre, enabling the use of the probe in in-vivo applications. Moreover, the micro-lensed cap poses an improved collection efficiency (1.5 times increase) compared to a cleaved end cap. The sensing capabilities of the micro-lensed probe are demonstrated by measuring different concentrations of glucose in aqueous solutions.
description: The different data collection methods used for the collection of the data are described in the paper "Micro-lensed negative-curvature fibre probe for Raman spectroscopy".
DOI: 10.13145/bacdive2449.20240510.9
title: Marichromatium purpuratum (Imhoff and Trüper 1980) Imhoff et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01101
title: Dataset for daily weather data (2017-2020) measured in Caldicot, Wales

description: Daily weather data measured in Caldicot, Wales from January 2017 to March 2020. The weather data was collected using a WS-GP1 weather station supplied by Delta-T Devices Ltd, Cambridge, UK. The data were collected to provide potential evaporative drying and rainfall for (i) a wall capillary uptake model and (ii) a soil water balance model. The measurements include daily maximum temperature (°C), minimum temperature (°C), maximum relative humidity (%), minimum relative humidity (%), wind speed (m/s), rainfall (mm) and radiation (kw/m2).
description: The weather data were collected using a WS-GP1 weather station supplied by Delta-T Devices Ltd, Cambridge, UK. The data were collected at hourly intervals and converted to daily values; they include daily maximum temperature (°C), minimum temperature (°C), maximum relative humidity (%), minimum relative humidity (%), wind speed (m/s) and radiation (kW/m2).
description: MS Excel was used to arrange and process the data.
DOI: 10.13145/bacdive2452.20240510.9
title: Marichromatium bheemlicum Anil Kumar et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01103
title: Dataset for "Height Determination of a Blue Discharge Observed by ASIM/MMIA on the International Space Station"

description: The dataset contains data and code used to determine the height of a blue discharge observed by the Modular Multispectral Imaging Array (MMIA) of the Atmosphere–Space Interactions Monitor (ASIM) on the International Space Station. It comprises an illustration of the analysis of the meteorology and storm structure, the pace-based optical measurements, the height determination from ground-based electric field measurements, and the estimation of the source altitude from the optical pulse.
description: For details of the methodology used, please see the Measurements section of the associated paper.
description: Figure 1, Figure 2, and Figure 3 can be plotted using the files provided. Figures 4-7, Figure 9 and supporting information Figure S1 are in .fig format. Figure 8 can be plotted using Ncview.
description: Further relevant documentation may be found in the following resources.

   Bai, X., Füllekrug, M., Chanrion, O., Soula, S., Peverell, A., Mashao, D., Kosch, M., Husbjerg, L., Østgaard, N., Neubert, T., and Reglero, V.,  2023.   Height Determination of a Blue Discharge Observed by ASIM/MMIA on the International Space Station.    Journal of Geophysical Research: Atmospheres, 128(7).  Available from: https://doi.org/10.1029/2022jd037460.
DOI: 10.15125/bath-01104
title: Dataset for "Optimisation of processing conditions during CVD growth of 2D WS2 films from a chloride precursor"

description: The dataset represents the results of a CVD growth study of monolayer WS2 films on sapphire substrates and underpins the figures in the main manuscript of "Optimisation of processing conditions during CVD growth of 2D WS2 films from a chloride precursor" that has appeared in the Journal of Materials Science. The manuscript describes an annealing protocol that was developed for the Oxford Instruments Nanofab cold wall CVD reactor to optimise the optical properties of the films. The improvement in quality is demonstrated through a systematic analysis of Raman and photoluminescence spectra and line shapes, including 2D maps generated across large area samples. Atomic force microscopy is used to confirm that the films are indeed uniform single monolayers. Finally, a wet transfer process from sapphire to Si/SiO2 substrates is used to demonstrate that the quality of the films remains unaffected.
description: Data either represent the raw experimental datafiles as captured with our measurement apparatus, or parameters extracted directly from these raw data files using standard fitting practices.
description: Samples were grown in an Oxford Instruments Nanofab cold-wall CVD reactor. Raman and photoluminescence data were collected using a Renishaw inVia confocal Raman microscope and AFM images were captured with an Asylum MFP-3D atomic force microscope in non-contact mode.
description: All data uploaded as readily accessible text or Excel files.
DOI: 10.13145/bacdive2453.20240510.9
title: Rhabdochromatium marinum Dilling et al. 1996

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01107
title: Dataset for "Relationship between change in social evaluation learning and mood in early antidepressant treatment: A prospective cohort study in primary care"

description: This study aimed to examine the association between change in social evaluation learning and mood over the first eight weeks of antidepressant treatment. Participants were primary care patients receiving antidepressant treatment under the care of their GP. Participants completed data collection at five timepoints; baseline (prior to starting antidepressants or within the first two weeks of treatment), two week, six week, eight week and six-month follow-up. At each testing session participants completed self-report measures of depression (BDI-II, PHQ-9), anxiety (GAD-7), and a computerised task measuring learning of social evaluations about the self, a friend and a stranger. 

Prior to the COVID-19 pandemic participants also completed three other cognitive tasks (associative learning, word categorisation and recall, and a facial emotion recognition task). To reduce fatigue effects associated with remote testing we removed these tasks from March 2020. Due to only a small number of participants completing these measures we have not analysed this data and have therefore not reported results in the associated paper. However, we have made the data open access to allow for exploratory research in preparation for potential future studies. Full details of these tasks are available in supplementary materials in the manuscript reporting our main findings.
description: Prospective cohort study assessing patients recruited from primary care sites in South West England at four timepoints over the first 8 weeks of antidepressant treatment. At each timepoint participants completed self-report measures of depression (BDI-II, PHQ-9), anxiety (GAD-7), and a computerised task measuring learning of social evaluations about the self, a friend and a stranger.
description: Data was anonymised by creation of unique numerical participant IDs and removal of potentially identifiable data.
description: Data was cleaned and analysed using R version 4.0.5
description: Full details of variables included in each dataset are provided in the data dictionary.
DOI: 10.13145/bacdive2454.20240510.9
title: Rheinheimera baltica Brettar et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.