cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-01106
title: Data sets for article entitled "Ring compaction as a mechanism of densification in amorphous silica"

description: Data sets used to prepare Figures 1–15 in the Physical Review B article entitled “Ring compaction as a mechanism of densification in amorphous silica.” The data sets refer to the structure of pristine or densified silica (SiO_2) glass.  The measured data sets were obtained by using either neutron or high-energy x-ray diffraction.  The modelled data sets were obtained by refining the atomic configurations produced by molecular dynamics simulations. The mechanisms of densification in amorphous materials are of importance for understanding their response to high pressure conditions.  Such pressures are encountered  during sharp contact loading or when magma is confined below the Earth's surface. Our work shows that ring compaction is an important mechanism of densification in amorphous materials that form network structures for which silica is an exemplar.
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: Figures 1–7 and 9 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.  The units for each axis are given on the plots. Figure 8 was prepared created using Origin software (http://www.originlab.com/). The data set corresponding to a plotted data within the Origin file can be identified by clicking on that data. The units for each axis are given on the plot. Figures 10–15 were created from the data listed in the Excel spreadsheets.
description: The files are labelled according to the corresponding figure numbers. The units for each axis are identified on the plots.
description: Further relevant documentation may be found in the following resources.

   Salmon, P. S., Zeidler, A., Shiga, M., Onodera, Y., and Kohara, S.,  2023.   Ring compaction as a mechanism of densification in amorphous silica.    Physical Review B, 107(14).  Available from: https://doi.org/10.1103/physrevb.107.144203.
DOI: 10.13145/bacdive2456.20240510.9
title: Rheinheimera texasensis Merchant 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-01108
title: Dataset for “Lack of optimistic biases in depression and social anxiety is reflected in reduced positive self-beliefs, but distinct processing of social feedback”

description: This study aimed to examine learning of social evaluations associated with psychopathology. We used two independent datasets (n = 552 and n = 807) to assess the relationship between depression (PHQ-9), social anxiety (BFNE), and learning of positive and negative evaluations about the self and an other.
description: This study aimed to examine learning of social evaluations associated with psychopathology. We created two datasets for this study. Firstly, we collated individual participant data from ten studies previously collected within this research group (dataset 1; n = 552). To assess the reliability of our findings from dataset 1, we collected a second independent dataset using the online recruitment platform Prolific (dataset 2; n = 807). In both datasets participants completed self-report measures of mood including depression (PHQ-9) and social anxiety (BFNE), and a computerised cognitive task where participants were asked to learn whether the computer liked the self and a fictional other based on the computers’ feedback to selection of a positive or negative social evaluative word pairs. In dataset 1 participants completed the study materials in psychology labs under the supervision of researchers. In dataset 2 participants completed the study materials independenly using online survey (qualtrics) and cognitive task (inquisit) software.
description: Data was anonymised through assignment of unique subject IDs and removal of potentially identifying information.
description: R version 4.0.5
description: In the associated manuscript for this study we report findings from two datasets. Our first dataset was comprised of individual participant level data from ten studies previously conducted within this research group (dataset 1). To validate the findings of this first dataset, we collected a second independent dataset using the online recruitment platform Prolific (dataset 2). The files from dataset 2 are available as open access, however as studies in dataset 1 did not obtain consent from participants to publish data as open access this data has been made available under restricted access conditions.

Four different data files are included for each dataset relating to (1) questionnaire measures (2) trial level social evaluation learning task data, (3) aggregate level SEL task outcome data for all trials completed per referential condition-rule block, and (4) aggregate level SEL task outcome data for 20 trials completed per referential condition-rule block. In our analyses for aggregated data we used the files with 20 trials to match with the minimum number of trials completed in one study in dataset 1.
description: Further relevant documentation may be found in the following resources.

   Hoffmann, J., Hobbs, C., Button, K., Hopkins, A. K., and Moutoussis, M.,  2020.   Individual differences in social evaluation learning.    Open Science Framework.  Available from: https://doi.org/10.17605/OSF.IO/HX6P9.
DOI: 10.15125/bath-01109
title: Dataset for "First-principles estimation of core level shifts for Hf, Ta, W and Re"

description: Input files for the open source Quantum Espresso code are provided to reproduce the calculations presented in the paper with the following abstract. 

A simple first-principles approach is used to estimate the core level shifts observed in X-ray photoelectron spectroscopy for the 4$f$ electrons of Hf, Ta, W and Re; these elements were selected because their 4$f$ levels are relatively shallow in energy. The approach is first tested by modeling the surface core level shifts of low-index surfaces of the four elemental metals, followed by its application to the well-studied material TaSe$_2$ in the commensurate charge density wave phase, where agreement with experimental data is found to be good, showing that this approach can yield insights into modifications of the charge density wave. Finally, unterminated surface core level shifts in the hypothetical MXene Ta$_3$C$_2$ are modeled, and the potential of XPS for the investigation of the surface termination of MXenes is demonstrated.
description: This dataset contains details necessary to reproduce the density functional theory calculations within the associated publication.
description: The input files are intended for use with Quantum Espresso open-source density functional theory code (https://www.quantum-espresso.org/) with pseudopotentials generated by the "atomic" code included with QE and contained in PSlibrary (https://www.materialscloud.org/discover/sssp/plot/efficiency/). Quantum Espresso is described in the following papers:

Giannozzi, P., et al., 2009. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39), 395502. Available from: https://doi.org/10.1088/0953-8984/21/39/395502.

Giannozzi, P., et al., 2017. Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46), 465901. Available from: https://doi.org/10.1088/1361-648X/aa8f79.
description: Input files follow the order of the figures in the paper.
description: Further relevant documentation may be found in the following resources.

   Wolverson, D., Smith, B., Da Como, E., Sayers, C., Wan, G., Pasquali, L., and Cattelan, M.,  2022.   First-Principles Estimation of Core Level Shifts for Hf, Ta, W, and Re.    The Journal of Physical Chemistry C, 126(21), 9135-9142.  Available from: https://doi.org/10.1021/acs.jpcc.2c00981.
DOI: 10.13145/bacdive2457.20240510.9
title: Rheinheimera pacifica Romanenko 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/bacdive2458.20240510.9
title: Rheinheimera perlucida Brettar 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-01111
title: Dataset for Second harmonic Rayleigh scattering optical activity of single Ag nanohelices in a liquid

description: This dataset contains raw data for the associated scientific paper. The data relate to samples made of metal nanohelices with nominal dimensions of length = 110 nm, loop diameter = 50 nm, loop pitch = 55 nm and wire diameter = 25 nm. The composition is Ag 97% and Ti 3%, with a 10 nm Au nanoparticle attached at one end of the helix. More details can be found in the experimental section of the research paper. The data include images of the samples, numeric data values for the curves and numerical simulation data. Specifically, there are 4 folders.

– Lumerical Data: this folder contains the numerical simulations performed on the samples. Simulations are provided for electric (E) and magnetic (H) fields. The metadata text file provides all the details. 
– Pulse length emission: this folder contains 4 sub-folders with data acquired on different days. For each sub-folder, the raw data files are provided and a plain text file provides technical details. 
– SHRS power dependence: provides 2 raw data files and a ReadMe text file specifying details.
– SHRS rotating analyser: provides 76 raw data files and a ReadMe text file with all the technical details.
description: The methodology is available in the associated paper.
description: Further relevant documentation may be found in the following resources.

   Ohnoutek, L., Olohan, B. J., Jones, R. R., Zheng, X., Jeong, H.-H., and Valev, V. K.,  2022.   Second harmonic Rayleigh scattering optical activity of single Ag nanohelices in a liquid.    Nanoscale, 14(10), 3888-3898.  Available from: https://doi.org/10.1039/d1nr06800h.
DOI: 10.13145/bacdive2460.20240510.9
title: Rheinheimera aquimaris Yoon 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-01115
title: Dataset for "Production of sub-10 micrometre cellulose microbeads using isoporous membranes"

description: Main data for figure in the manuscript "Production of sub-10 micrometre cellulose microbeads using isoporous membranes".  The data for  Figure 3a shows Capillary number values and Weber number values used for operating the droplet generation membrane assembly containing the isoporous membrane.  The corresponding membrane pore diameters used to obtain the values are given together with for both the numbered and unnumbered points on the Figure 3a plot.
description: Data was derived experimentally as described in the manuscript.
description: Further relevant documentation may be found in the following resources.

   Ekanem, E. E., Sabirova, A., Callaghan, C., Scott, J. L., Edler, K. J., Nunes, S. P., and Mattia, D.,  2022.   Production of sub-10 micrometre cellulose microbeads using isoporous membranes.    Journal of Membrane Science Letters, 2(1), 100024.  Available from: https://doi.org/10.1016/j.memlet.2022.100024.
DOI: 10.13145/bacdive2462.20240510.9
title: Rheinheimera tangshanensis Zhang et al. 2008

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01117
title: Dataset for "Identifying misleading corporate narratives: The application of linguistic and qualitative methods to commercial determinants of health research"

description: This dataset concerns the language used by Philip Morris international (PMI) in their external communications. The dataset was collected in order to identify patterns in language used in different corporate communications. 

This dataset includes Annual Reports, Investor reports, Investor day slide decks, transcripts and reports. It is a record of the inductive coding conducted for this project.

The dataset contains the final codebook, which was agreed and approved by all coders.
description: We developed a mixed-methods protocol blending methods and tools from corpus linguistics (CL) with inductive coding methods. For the “investor” targeted communications, we sampled annual and investor reports and presentations to shareholders, which included any associated slides and scripts. For the “wider audience” targeted communications, we sampled corporate webpages, and corporate YouTube videos.
Annual reports, investor reports and presentations to shareholders were accessed and downloaded via PMI’s investor web pages. The sample of corporate webpages was downloaded manually according to a sampling filter developed specifically for this research. Corporate YouTube videos were accessed directly through PMI’s dedicated account. Automatically generated audio transcripts available from YouTube videos on a single playlist, titled “Inside Us” were saved in NVivo and checked for accuracy by IF, to allow for qualitative coding. Annual and investor reports were downloaded from PMI's website. 
Webpage sampling
As there was no site map readily available through PMI's website, we used a freely available online site mapping tool (xml-sitemaps.com) to generate an XML site map for www.pmi.com and sampled webpages according to the underlying logic of the page hierarchy. This sample consisted of pages at the “top” level (for example, www.pmi.com) and any pages nested under “home”, “investor relations”, “our business” or “who are we”. Target pages were captured using NVivo and Greenshot, and archived using WayBack Machine.
description: Coded in NVivo release 1.5.1 (940). QSR International. Subject to license agreement. File converted to permit reading in latest version of NVivo - release 1.6.1 (1137).
SketchEngine (https://www.sketchengine.eu/) was used for Corpus Analysis. Subject to licence agreement. (UoB licence not active as of 01/09/2022)
description: Data files in NVivo are sorted according to data type/source.
DOI: 10.13145/bacdive2463.20240510.9
title: Thiobaca trueperi Rees et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01116
title: Dataset for "Highly efficient ZnO photocatalytic foam reactors for micropollutant degradation"

description: Photocatalytic foams combine the advantages of slurries and immobilised photocatalysts for water treatment. The paper associated with this dataset, "Highly efficient ZnO photocatalytic foam reactors for micropollutant degradation" describes the performance of ZnO photocatalytic foams in recirculation and single-pass configuration reactors. The photocatalytic activity was systematically studied for flow rate, catalyst length and stability parameters using Carbamazepine (CBZ) as a model pollutant. This dataset contains Carbamazepine photocatalytic degradation data underpinning these results. Materials characterisation data comprises Zn concentration in the solution after photocatalysis (ICP/MS), X-ray diffraction data and Scanning Electron Microscopy (TEM/SEM) images. Simulation results are provided from the code developed in Matlab and compared to experimental data.
description: All experimental details including sampling, procedures and methodologies are fully described in the associated paper.
description: All technical details are fully described in the associated paper. Origin Software (version 2017 Academic 64 bit) was used to create the Figures presented in the manuscript and Blender for the graphical abstract. Simulation data was perfomed using Matlab 2021 software.
description: The spreadsheet contains the following tabs:
•	Data for photocatalytic degradation using ZnO foams in Figures 3, 4, 5, and S2 in the manuscript, respectively;
•	SEM and FE-SEM original micrographs in the manuscript (Figures 2) and ESI (Figure S4); 
•	X-ray diffraction data for Figure S.1 in the ESI;
•	HPLC calibration data for Carbamazepine;
•	Zn concentration;
•	Quantum efficiency and EEO (Tables 1 and 3);
•	UV dose data Figures 3 and 5 in the manuscript, Figure S2 ESI and Tables S4 and S5 ESI;
•	Hydrodynamics parameters Tables S6 and S7 ESI
•	Simulation: Figure 7 in the manuscript, Figures S5 to S8 ESI and Tables S10 and S11.
description: Further relevant documentation may be found in the following resources.

   Guaraldo, T. T., Vakili, R., Wenk, J., and Mattia, D.,  2023.   Highly efficient ZnO photocatalytic foam reactors for micropollutant degradation.    Chemical Engineering Journal, 455, 140784.  Available from: https://doi.org/10.1016/j.cej.2022.140784.
DOI: 10.15125/bath-01118
title: Dataset for Synthesis of Photocatalytic Pore Size-Tuned ZnO Molecular Foams

description: Raw data files for XRD, HPLC, UV dosage, ICPMS,  Eeo, MicroCT and hydrodynamic calculations associated with manuscript titled "Synthesis of Photocatalytic Pore Size-Tuned ZnO Molecular Foams"
XRD contains raw data of XRD spectra used to analyse crystallinity and crystal phase of ZnO samples. 
HPLC contains the raw data used to produce degradation profiles of carbamazepine when exposed to the photocatalyst. UV dosage contains the raw data used to plot degradation against UV irradiation supplied to allow for greater analysis between flow rates of reactor. 
ICPMS contains the raw data collected to analyse the concentration of metal in the pollutant stream, allowing for analysis of material stability. 
Eeo contains the calculations used to work out the electrical energy efficiency of the system, allowing for analysis of efficiency when operating the reactor under different conditions. 
MicroCT is the raw data collected from analysis of the 3D reconstruction of the samples, used to analyse the pore structure (size, sphericity, ect) 
Hydrodynamic calculations contains the calculations conducted to understand the reactor system and to calculate key parameters allowing for the discussion of the reactor.
description: XRD - sampling between 2 Theta of 20 - 90 with Cu K alpha xrays. 
HPLC - degradation experiments used 1 mL samples taken every 15 or 30 minutes. Analysis was performed on a Thermo Scientific Ultimate 3000 liquid chromatograph with a UV detector. CBZ analysis used a Thermo Scientific Acclaim 120 C18 column (3.0 X 75.0 mm, particle size 3.0 µm) and a Thermo Scientific Acclaim 120 C18 guard column (R) 120 C18 (3.0 X 10.0 mm, particle size 5.0 µm) The mobile phase was made up using 5.0 mM phosphoric acid and acetonitrile 70:30 (v:v) with a flow rate of 0.8 mL min-1, injection volume of 20 µL and detection wavelength of 285 nm. 
ICPMS - All samples, standards and blanks, were spiked with internal standard elements Be, In, and Re. The Zn concentration was calibrated using six synthetic standards prepared from a 1000 ppm Inorganic Ventures (VA, USA) standard. 
MicroCT - Data collected using a Nikon XT H 225 ST using a 178 kV x-ray source and 0.708 second exposure time, 3141 projections and 4 frames per projection and analysed using Thermo Scientific Avizo Software 9 3D data visualisation software.
DOI: 10.13145/bacdive2467.20240510.9
title: Thiococcus pfennigii (Eimhjellen 1970) 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/bacdive2468.20240510.9
title: Thiohalocapsa marina Anil Kumar et al. 2009

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-01125
title: Dataset for "Going active: How do people envision the next generation of buildings?''

description: The recently launched Active Building Code (ABCode) offers guidance on minimising the environmental impact of the next generation of buildings termed Active Buildings (ABs). This dataset reflects our two-stage investigation into the stakeholder perceptions of ABs and, in particular, their statistical analysis using a logistic regression model in R.
description: This dataset reflects our two-stage investigation into the stakeholder perceptions of Active Buildings. In the first stage, we collected thoughts on the future of the built environment through a series of online focus group discussions with 30 industry experts. In the second stage, we quantified the ideas that arose from the first stage through an online survey of 30 academics and researchers.
description: Additional information can be found in the associated paper "Going active: How do people envision the next generation of buildings?'', included in the CLIMA 2022 Conference Proceedings.
description: Further relevant documentation may be found in the following resources.

   Nikolaidou, E., Walker, I., Coley, D., Allen, S., and Fosas, D.,  2022.   Going active.    CLIMA 2022 conference, 2022: CLIMA 2022 The 14th REHVA HVAC World Congress.  Available from: https://doi.org/10.34641/CLIMA.2022.325.
DOI: 10.13145/bacdive2470.20240510.9
title: Thiorhodococcus minor 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-01126
title: Matterport3D 360° RGBD Dataset

description: This dataset is an extension of Matterport3D that contains data to train and validate high resolution 360 monocular depth estimation models. The data is structured in 90 folders belonging to 90 different buildings storing a total of 9684 samples. Each sample of the dataset consists of 4 files: the RGB equirectangular 360 image (.png), its depth ground-truth (.dpt), a visualisation of the depth ground-truth (.png) and the camera to world extrinsic parameters for the image (.txt) saved as 7 parameters: 3 for the camera center and the last 4 for the XYWZ rotation quaternion.
description: Further relevant documentation may be found in the following resources.

   Rey-Area, M., Yuan, M., and Richardt, C.,  2021.   360MonoDepth: High-Resolution 360° Monocular Depth Estimation.       Version 2.  arXiv.  Available from: https://doi.org/10.48550/ARXIV.2111.15669.
DOI: 10.15125/bath-01127
title: Data on the securitization of ideologies in US presidential speech

description: This dataset is created for the analysis of the origin of securitization of ideologies in US political discourse. There are two Stata 17 documents, one focusing on word frequencies (WordFrequencies.dta) of all clauses in US Presidential Papers (Public Papers of the Presidents of the United States 1989-2014 (Washington D.C.: US Government Printing Office)) and the other focusing on NVivo-based coding of sentences (Coding results.dta) with the word "ideology" in any of its forms from January 2003 until the end of 2005. These are coded with NVivo 12 textual analysis package, with open access to the coding of the text in file “securitization of knowledge.qsr”
description: Data is collected by coding US presidential papers in accordance to the coding rules explicated in the codebook by using NVivo 12 software package. It was then stored in a numerical form into Stata 17 format.
description: The data was produced in textual analysis by following grammatical and textual analysis rules defined by the codebook and justified by the article that this data is primarily produced for.
description: The coding was done using NVivo 12 software package. It was then stored in a numerical form into Stata 17 format.
description: The codebook reveals how text was coded and quantified.