cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-01133
title: Code and Dataset for Thesis "Bayesian Analysis of Spatial Log-Gaussian Cox Processes"

description: These files contain the relevant code and data to produce the results presented in the thesis titled "Bayesian Analysis of Spatial Log-Gaussian Cox Processes" by Nadeen Khaleel.

These files contain the input data and the output results for the implementation of the models and exploratory analysis as well as the implementation of the Grid Mesh Optimisation method and the INLA within MCMC algorithms. Some of the input data corresponds to the processed crime data in US cities, in particular incidences of homicide and motor vehicle theft in Los Angeles, New York and Portland, aggregated to census-tract level or discretisation grids. The raw third party data is not included; however, a document detailing how to access the relevant data is provided and all of the code used to clean and extract the necessary data from the raw data is included.

These files additionally contain the relevant code for the data tidying, manipulation and simulation as well as the code to implement the Grid Mesh Optimisation method and the INLA within MCMC algorithms.
description: R Software was solely used within the data tidying/manipulation and simulation as well as for the code and any results output. Any tidied or simulated data is stored under the .rda or .rds format and any code is available in the .R or .Rmd format with output from the latter in the form .html.
DOI: 10.13145/bacdive2471.20240510.9
title: Thiorhodococcus drewsii Zaar et al. 2003

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2472.20240510.9
title: Thiorhodococcus mannitoliphagus Rabold et al. 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01134
title: Dataset for "A consensus building study to define the role of a ‘clinical’ pharmacy technician in a Primary Care Network environment in England"
title: Dataset for article: A consensus building study to define the role of a ‘clinical’ pharmacy technician in a Primary Care Network environment in England

description: Quantitative and qualitative responses from three surveys administered via Online Surveys as part of a Delphi process. The subject of the surveys was defining the role of a 'clinical' pharmacy technician using Likert scale quantitative and qualitative responses.

The purpose behind data collection was to create a set of criteria to define the role of a 'clinical' pharmacy technician across a number of pharmacy sectors. The contributors had collective occupational and policy expertise of the topic.
description: This research required the participation of a panel who were occupational and policy experts on the topic, they were purposefully recruited to the study.

Content for the surveys was created from literature searches and panel feedback. The Delphi method was used, three Rounds of surveys were distributed via the online platform 'Online Surveys'.

The raw data presents the responses from each contributor by question, including both the quanitiative (Likert response) and qualitative comments using free-text boxes. The data has been downloaded from the Online Surveys platform and should be interpreted as the full responses from each of the contributors for each of the three survey rounds. 

For the purpose of the study summary statistics were summated for the criteria included in each round. An inductive approach was used to group the qualitative data, identifying key comments and themes to support the interpretation of the quantitative ranking data.
description: Data has been anonymised.
description: Microsoft Excel required to view the data
description: Data has been downloaded from Online Survey platform organised by question.
DOI: 10.15125/bath-01135
title: Dataset for "All-fibre wavefront sensor"

description: We have developed a tip-tilt wavefront sensor based on a tapered three-core optical fibre. In this device, a coupled region at the sensing tip of the fibre converts phase information from an incoming wavefront into intensity information within each of the cores. The sensor uses minimal information to infer tip-tilt and is compatible with remote detector arrays, making it highly relevant for use in ground-based astronomical telescopes. This repository contains three sets of 49 near-field images, which capture the response of our all-fibre wavefront sensor to incoming wavefronts of changing tip/tilt. We have included an analysis/plotting script (in Matlab) to evaluate the centroid positions from the acquired images and plot these alongside analytical values. These files comprise the complete set of experimental results presented in "All-fibre wavefront sensor".
description: Full details of the methodology may be found in the associated manuscript.
description: Further relevant documentation may be found in the following resources.

   Wright, T. A., Yerolatsitis, S., Harrington, K., Harris, R. J., and Birks, T. A.,  2022.   All-fibre wavefront sensor.    arXiv.  Available from: https://doi.org/10.48550/ARXIV.2204.14029.
DOI: 10.13145/bacdive2478.20240510.9
title: Thiocapsa rosea (Winogradsky 1888) Guyoneaud 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-01136
title: Dataset for "Using In-Plane Anisotropy to Engineer Janus Monolayers of Rhenium Dichalcogenides"

description: The class of Janus two-dimensional (2D) transition metal dichalcogenides with two different interfaces is interesting due to the possibility to access properties different from the typical 2D materials.  This dataset contains Quantum Espresso input files necessary to reproduce the density functional theory calculations within the associated publication. We used them to study the structural stability of 29 distinct ReX_{2-x}Y_{x} (X,Y=S,Se) structures, which can be obtained by selective exchange of exposed chalcogens in a ReX2 monolayer as well as to examine the lattice properties and electronic properties of the most stable Janus monolayers for given chalcogen composition. Additional information on the computational details of our work can be found in the Methods section of the published paper and the Supplemental Material linked to it.
description: Plane wave density functional theory self consistent field calculations of electronic and phononic band structure.
description: Quantum Espresso input files necessary to obtain electronic and phononic dispersions, formation energies and work functions for Janus monolayer of rhenium dichalcogenides. For interpretation of these input files and contents of the output files see the Quantum Espresso documentation.
description: Quantum Espresso version 6.7 (GNU open source licence). See https://www.quantum-espresso.org/
description: All files are plain text. Files "Re.atom.in", "S.atom.in" and "Se.atom.in" were used to obtain total energies of the respective elements in their crystal forms. The folders ReS2 and ReSe2 contain input files for the respective pristine materials and Janus monolayers derived from these via sulfurization or selenization. Subfolders "Xsub", X=1,2,3, contain files for structures with X chalcogens exchanged from one species to the other (S to Se or vice versa). Subfolders "Janus" contain files describing the full Janus structures, ReSSe or ReSeS. Finally, the atomic species occupying each lattice site can be determined from the input files (which list the species and position of each site) by comparison to the published paper.
description: Further relevant documentation may be found in the following resources.

   Zibouche, N., Gunasekera, S. M., Wolverson, D., and Mucha-kruczynski, M.,  2022.   Using in-plane anisotropy to engineer Janus monolayers of rhenium dichalcogenides.    Physical Review Materials, 6(5).   Available from: https://researchportal.bath.ac.uk/en/publications/using-in-plane-anisotropy-to-engineer-janus-monolayers-of-rhenium.
DOI: 10.13145/bacdive2479.20240510.9
title: Thiocapsa roseopersicina Winogradsky 1888

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01137
title: Dataset for "Multi-objective optimisation of urban courtyard blocks in hot arid zones"

description: This dataset supports the study on the relationship between the design parameters, namely, individual building heights, interspaces, and orientation, and both outdoor thermal comfort and cooling loads of urban courtyard blocks in Cairo, Egypt. The study uses Grasshopper for Rhino3D and its environmental plugins, Ladybug-tools, as well as the multi-objective optimisation plugin, Octopus, to analyse thermal comfort represented by the Universal Thermal Climate Index (UTCI) along with cooling loads in MWh of thousands of courtyard block configurations. The data files include the raw data as produced by the search algorithm, and recorded in Grasshopper, the refined data excluding duplicates, data for the Pareto optimal sets, as well as the processed data.
description: Simulations were setup in Grasshopper, where the plugin Octopus was used to iterate the simulation of each courtyard geometrical configuration, and the Ladybug-tools to calculate the objective functions. Grasshopper components, "Data Recorder", were used to record the recursive data iteratively throughout the 3 types of simulations. Upon the end of each phase, the data was manually transferred (copy-pasted) to CSV files by the researcher.

For the data files, types A, B, and C refer to courtyard's width elongated 1, 2 and 3-fold its length. The annotation "dup" refers to the entire sample produced by the algorithm, which contains duplicate solutions. The annotation "exc_dup" refers to the refined sample after excluding duplicate solutions. The annotation "Pareto" refers to the best performing solutions in the refined sample in terms of both objective functions (UTCI and Cooling loads), also known as the Pareto front solutions. The xlsx file includes all the data in the 9 files, along with their analyses and visualisations.
description: Rhinoceros V.6 Service Release 29
Grasshopper Build 1.0.0007
Ladybug V.0.0.69, Honeybee V.0.0.66
description: Data were organised in MS Excel. 
Av. OTCA stands for the average Outdoor Thermal Comfort Autonomy (not reported in the paper).
DOI: 10.15125/bath-01138
title: Dataset supporting  "Neutron diffraction study of indole solvation in deep eutectic systems of choline chloride, malic acid, and water"

description: This dataset includes neutron diffraction data from samples of indole in choline chloride:malic acid deep eutectic solvent in the presence and absence of water. The data has been processed using the program Gudrun to remove background scattering and instrumental effects, (creating .mint01 files) so it is ready for use in data fitting. The text files contain a header describing the name of the sample, the experimenters, and then three columns: Q (x-axis), differential scattering cross section (y-axis), error in intensity.
description: Solutions of indole in choline chloride:malic acid deep eutectic solvent were prepared using h- or d-choline chloride, and h- or d-malic acid. The solutions were loaded into TiZr cuvettes, sealed and attached to the sample changer at 25C. Neutron scattering data was collected using the NIMROD instrument at the ISIS Neutron and Muon Source, UK. The raw neutron diffraction data files are available from the ISIS Neutron and Muon Source Data Journal under the title "Denitrogenation of fuel oils using hydrated choline chloride:malic acid DES".
description: Raw data was processed to remove backgrounds and instrumental factors, to create the .mint01 files containing differential scattering cross-section against Q.
description: The Gudrun software (https://www.isis.stfc.ac.uk/Pages/Gudrun.aspx) was used to process the data.
description: The data are in three-column text files (x, y, error in y), with a 14 line header including sample and experimenter names.
DOI: 10.13145/bacdive2481.20240510.9
title: Thiocapsa marina Caumette et al. 2004

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2482.20240510.9
title: Thiocystis violascens (Perty 1852) Imhoff et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2487.20240510.9
title: Thiocystis violacea Winogradsky 1888

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01140
title: Dataset for "Nanoplastics Detected in Commercial Sea Salt"

description: The electric field distributions of the Au-AAO-50 membrane was simulated in Lumerical according to the geometrical measurements obtained from SEM and AFM, (Fig. 1d and Fig. 1e of the manuscript). Electric field distribution data from 1 nm above (z=534nmPlane_E-Field folder) and at the midsection of the conical tapered holes (z=551nmPlane_E-Field folder) of the SERS substrate are included in the zip folder. Also included are the setup parameters and metadata in a text file which describes the material properties fitting (as shown in the .png files) and .stl files which can be opened in any CAD software to view the simulated geometry.
description: Finite-Difference Time-Domain (FDTD) simulations were performed in Lumerical revealing the electric field distribution on the surface of the Au-AAO-50 SERS substrate. The model SERS substrate was created in Autodesk Inventor based on SEM and AFM of the surface and mapped to Lumerical for simulation. A bicentric hexagonal pattern of holes was generated with side length 500 nm and hole diameter 250 nm. The edges of the orifices were sloped forming a conical cut out based on the AFM. The result of this resembled that of an array of countersunk holes with a chamfer angle of 84° and a diameter of 345 nm at the surface. The AAO was modeled using the built in wavelength dependent material model in the Lumerical database as in refs 41, 42. A 50 nm layer of Au was superimposed onto the surface of the AAO substrate and modelled using a Johnson and Christy material model (based on ref.43) to simulate the substrates used in experiments reported here. Three other metallic layers were modelled for comparison, Ag (Palik 0 - 2 µm material model; ref. 44), Al, and Cu (both CRC material models; ref. 45).

The three-dimensional domain space encompassed 2 µm × 1.732 µm of the surface (x and y directions) of the substrate and a depth of 2 µm (z direction). 3 µm of void space was placed above the substrate surface. The boundaries of the domain were periodic in the x and y direction and perfectly matched layers in the z direction which enabled the reduction of the simulation domain without compromising the validity of the simulation. The mesh resolution was approximately 2% of the hole diameter giving high fidelity results.

A Bloch plane wave source with amplitude 1 V/m was introduced from 2 µm above the SERS substrate model leaving an additional (but crucial) 1 µm of space between the source and the upper boundary. The source was a Fourier transform limited pulse of light with approximately Gaussian spectral profile centered at 785 nm with a wavelength span of 300 nm. The duration of the pulse was approximately 4.2 fs. The plane wave was linearly polarised parallel to the x-axis of the FDTD domain. A frequency domain field and power monitor were placed in the x-y plane 1 nm above the surface of the SERS substrate to extract the electric field distribution on the surface of the sample.
DOI: 10.15125/bath-01141
title: Dataset for "ACute3D: A compact, cost-effective, 3D printed laser autocollimator"

description: This data archive is for the Acute3D, a 3D printed, open source, laser autocollimator. The hardware design is provided in the form of parametric CAD files to make the autocollimator convenient to customise and integrate into larger instruments. Assembly instructions on building the Acute3D can be found alongside the hardware design. The software that drives the autocollimator is provided in the form of Python scripts to allow immediate use of the device and data replication.

The performance of the autocollimator was characterised through a series of experiments. This archive contains the data and analysis Jupyter notebook for all experiments performed in this project. The code for data collection is embedded in the software. A folder of example frames captured by the autocollimator during operation is also provided.
description: The performance of the autocollimator was characterised through a series of experiments. We organised the data and analysis code by experiment and added a README file in each folder. The README file explains the aim of the experiment, equipment used in the setup, method, and the structure of the data. Unless specified, the experiments were carried out in ambient conditions without thermal stabilisation.
description: Software environment:
Raspberry Pi 3
Python 3
See requirements.txt in ACute3D_software.zip for more details

The data files can be viewed using text editors such as Notepad or Python packages such as Pandas
DOI: 10.13145/bacdive2488.20240510.9
title: Thiocystis violacea Winogradsky 1888

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01139
title: Data sets for "Structure and related properties of amorphous magnesium aluminosilicates"

description: Data sets used to prepare Figures 4-22 and S1-S11 in the Physical Review Materials article entitled "Structure and related properties of amorphous magnesium aluminosilicates." The data sets describe the structure across a wide composition range.
description: The data sets were collected 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-01146
title: Dataset for "Modelling intramuscular drug fate in vitro with tissue-relevant biomimetic hydrogels"

description: The data covers the two areas addressed in the manuscript text:

1. Rheology of hydrogels formed from bovine type-1 collagen (Col1) with/without hyaluronic acid (HA) supplementation. This data addressed a) what were the viscoelastic properties of Col1 hydrogels and b) whether HA supplementation affected these properties in any way.

2. 96-well plate fluorescence data describing the cumulative release of GFP from the hydrogel environments into the acceptor phase. Analysis of samples taken at defined time points from the SIMI created 24-hr pharmacokinetic profiles, to visualise cumulative release over the experimental time period.
description: Rheology:
Conducted with a Discovery HR-3 Hybrid Rheometer and Trios software (TA Instruments, DE, USA). A 40 mm Peltier steel plate was used in a parallel plate setup with a gap of 500 μm. 1.5 mL hydrogels were used for investigations. All experiments were conducted at plate temperatures of 37 oC. Each assessment was composed of three individual analyses. Oscillation frequency analysis was conducted at 0.5% strain, 0.1 – 100 rad/s. Oscillation amplitude analysis was conducted using an angular frequency of 6.28319 rad/s, with a strain range of 0.01 – 50%. Flow analysis was conducted over an increasing shear rate of 0.01 to 100 1/s with a 5s equilibration time and 30s averaging time. 

GFP quantification:
100 μL acceptor-phase buffer duplicates (from GFP SIMI assays) were added to black plastic 96 well Nunclon Delta plates (Thermo #137101). The samples were measured for fluorescence intensity with a FLUOstar Omega plate reader using Omega control and data analysis software (BMG Labtech). The excitation wavelength was set at 480 nm, and the emission wavelength set at 520 nm.
DOI: 10.15125/bath-01142
title: Dataset for "Temporal and geographical variation in low carbon inhaler dispensing in England, 2016 to 2021: an ecological study"

description: This dataset include two types of data:
1) The number of dispensed items in England for 198 different types of inhaler and their total cost, by month (201603 to 202102) and clinical commissioning group, obtained from openprescribing.net.
2) Clinical commissioning group population characteristics obtained from publicly available data sources.

The dataset also includes a classification of the inhalers into pharmacological classes and either pressurised metered dose inhalers or low carbon inhalers (dry powder inhalers or soft mist inhalers).
description: Inhaler items and cost data were downloaded from openprescribing.net at the product format level (OpenPrescribing.net, Bennett Institute for Applied Data Science, University of Oxford, 2021).

Clinical commissioning group (CCG) population age profiles (percentage under 15, and over 80 years old) for 2019 were obtained from the Office for National Statistics licensed under the Open Government Licence v.3.0. CCG asthma and COPD prevalence (%), emergency hospital admissions (EHA, per 100,000 population) and mortality rates (per 100,000 population) were obtained from Public Health England under the Open Government Licence v.3.0. Local formularies and guidelines on CCG public websites in May 2021 were reviewed to record the presence or absence of advice on the carbon footprint of inhalers and the number of recommended pressurised metered dose inhalers (pMDI) and low carbon inhalers (dry powder inhalers and soft mist inhalers) in each pharmacological class.
description: To control for changes in the volume of inhaler dispensing, the key outcome measure used in this study is the percentage of low carbon inhalers dispensed, defined as the number of low carbon inhaler items dispensed relative to the total number of pMDI and low carbon inhaler items. In addition, the average cost for pMDI and low carbon inhaler items was defined as the total cost of them items divided by the total number of items.
description: N/A
description: See README.txt file
DOI: 10.13145/bacdive2495.20240510.9
title: Chrysiogenes arsenatis Macy et al. 1996

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2497.20240510.9
title: Desulfurispirillum indicum Rauschenbach et al. 2011

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