cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-00860
title: Data supporting: Morphology modulation of ionic surfactant micelles in ternary deep eutectic solvents

description: This dataset contains raw and processed data in support of the named publication. This consists primarily of small-angle neutron scattering (SANS) data for mixtures of anionic and cationic surfactants in ternary deep eutectic solvents. Data files for differential scanning calorimetry (DSC) and viscosity measurements on the pure deep eutectic solvents are also included.
description: Small-angle neutron scattering (SANS) measurements were carried out on the LOQ and Zoom instruments at ISIS Pulsed Neutron and Muon Source, UK. Mixtures either of sodium dodecyl sulfate (SDS), C12TAB and C16TAB (at concentrations of 25 mM and 130 mM) in choline chloride:urea:glycerol DES at different molar ratios were measured in various isotopic substitutions at 70 °C.

The following measurements were carried out on pure choline chloride:urea:glycerol DES in molar ratios of 1:0.5:1.5, 1:1:1 and 1:1.5:0.5:

-	Differential scanning calorimetry: DSC measurements on the neat solvents were carried out on a TA Instruments DSC-Q20 differential scanning calorimeter. The sample was first equilibrated at 50 °C and held for 1 min, cooled to -75 °C at a ramp rate of 10 °C min-1 and held for 10 min, before heating to 30 °C at a ramp rate of 5 °C min-1 .

-	Viscosity: The viscosity of the solvents was measured using a TA Instruments HR-3 Discovery Hybrid Rheometer operating in flat plate geometry with Peltier temperature control. Viscosity data was obtained in a temperature range of 20 °C – 85 °C at a fixed shear rate of 1 s-1. The DES were measured as prepared, with a seal of mineral oil to prevent solvent interaction with the atmosphere during measurements.
description: SANS data were reduced using the routines within Mantid (https://www.mantidproject.org/Main_Page) following the standard procedures on each instrument. The data were normalized to the sample transmission, calibrated to absolute units using a polymer standard and corrected for detector efficiencies, before scattering from the empty cell was subtracted. The resulting output was converted to absolute units of the scattering intensity (I(q), cm-1) vs. the momentum transfer (q, Å-1).  Subtraction of the scattering from the pure solvents was performed afterwards using Igor Pro to account for the incoherent contribution to each sample.
description: Output data from the SANS experiment consists of .txt files in the standard 1D format of I(q) vs. q (http://danse.chem.utk.edu/trac/wiki/NCNROutput1D_IQ). This data can be fitted using any available software capable of fitting SANS data.

All other data is also given as .txt files and can be viewed and plotted using any suitable software.
description: All data files relating to the same experimental technique are grouped together in sub-folders. Files relating to DSC and viscosity measurements on the pure DES. A PDF file is included in the sub-folder containing SANS data which provides a brief description of the contents of each data file.
DOI: 10.13145/bacdive2272.20240510.9
title: Desemzia incerta (Steinhaus 1941) Stackebrandt et al. 1999

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2274.20240510.9
title: Granulicatella adiacens (Bouvet et al. 1989) Collins and Lawson 2000

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00861
title: Dataset for "Determining the structure of zeolite frameworks at high pressures"

description: A collection of data used for the article "Determining the structure of zeolite frameworks at high pressures."

In this work, we present our method which involves geometric modelling, implemented in GASP (Geometric Analysis of Structural Polyhedra) software, to obtain crystal structures at high-pressures when Rietveld refinements alone fall short. We show that GASP can be used to simulate theoretical compression mechanisms of zeolite frameworks at the atomic level, providing optimised structural models as reasonable starting points for full crystal structure analysis. We apply our method to investigate the effect of channel content on compression mechanisms of the LTL framework. Experiments were conducted at ISIS Neutron and Muon Source, UK. We used time-of-flight (ToF) neutron diffraction to measure changes in the structure of zeolite K-L up to pressures of 4 GPa, using Fluorinert and a 4 : 1 mixture of perdeuterated methanol and ethanol (m.e.) as non-penetrating and penetrating pressure transmitting media (PTM), respectively. We also discuss the flexibility window as a foundation supporting this approach.

Refer to the README files for each folder for details on its contents.
description: High pressure, ToF, powder neutron diffraction data were collected using the PEARL instrument at the ISIS facility, Rutherford Appleton Labs, Didcot, UK. Dehydrated K-LTL samples were loaded into a null-scattering TiZr gasket with a pellet of lead as a pressure marker in a dry, argon glovebox. In the 
first experiment, Fluorinert was chosen as a non-penetrating (PTM) and, in the second, a 4 : 1 mixture of perdeuterated m.e. was chosen as a penetrating PTM. Samples were compressed using the Paris-Edinburgh cell equipped with single-toroidal, zirconia-toughened alumina (ZTA) anvils. Pressure measurements were collected at applied cell loads from 7 to 50 tonnes in 5 tonnes intervals across a d-spacing range from 0.5 to 4.1 Å.
description: All refinements were performed using the GSAS 2 package. Experimental unit-cell parameters were extracted from compression data using the LeBail whole pattern fitting method . Geometric simulations were then performed using GASP software.
DOI: 10.15125/bath-00862
title: Dataset for "Single nanoparticle chiroptics in a liquid: optical activity in hyper-Rayleigh scattering from Au helicoids"

description: This dataset contains results of measurements of hyper-Rayleigh scattering in suspensions of chiral Au nanoparticles (Au helicoids) and other experiments. The data support the publication "Single nanoparticle chiroptics in a liquid: optical activity in hyper-Rayleigh scattering from Au helicoids".
description: The exact data collection method is described in the related publication.
DOI: 10.13145/bacdive2275.20240510.9
title: Granulicatella elegans (Roggenkamp et al. 1999) Collins and Lawson 2000

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00864
title: Dataset for article "Determination of interatomic coupling between two-dimensional crystals using angle-resolved photoemission spectroscopy"

description: This dataset contains information about the results of angle-resolved photoemission spectroscopy (ARPES) measurements of twisted bilayer graphene as well as theoretical modelling of this experiment. It accompanies a peer reviewed academic publication in which the experiment and theoretical model are described in more detail.
description: The ARPES measurements were performed at the Spectromicroscopy beamline at the Elettra synchrotron (Trieste, Italy). Before measurements, the samples were annealed at 350 °C for 30 minutes. The experiment was then performed at a base pressure of 10^-10 mbar in ultrahigh vacuum and at the temperature of 110 K. We used photons with energy of 74 eV and estimate our energy and angular resolution as 50 meV and 0.5°, respectively. For each sample, we determined the twist angle by measuring the distance between the nearest BZ corners of the two layers. The theoretical graphs and spectra were produced using equations given in the text of the manuscript.
description: Experimental ARPES data was transferred to Matlab for further analysis and processing. Theoretical simulations were also performed using Matlab. All the enclosed data is saved in Matlab formats.
description: The following describes content of the files in the archive (below, "(x)" stands for numerical part of the name of one of the files in the archive; figure numbers refer to figures in the accompanying publication):

- Cut_9_64.mat - experimental ARPES map for Fig 2(a).
- couplinggraphs.mat - plots in Fig 2(b).
- Cut_9_06.mat - experimental ARPES map for Fig 3(a).
- Cut_19.mat – experimental ARPES mao for Fig. 3(b).
- (x)energyworkspace.mat - calculated ARPES maps for Fig 4 at energy (x).
- experimental(x)workspace.mat - experimental data for Fig 4 at energy (x).
- Bilayer_19_1.mat – original experimental ARPES data for twisted bilayer graphene in Fig 3 (b); workspace is organised in the same way as “E_contour_(x).mat” described below.
- E_contour_(x).mat - original experimental ARPES data for twisted trilayer with twist angle (x); within this file, the structures "SMPM12058_(x)" contain information about photoelectrons with energy (x); the variables "x" and "y" correspond to kx and ky, respectively, and "value" to measured ARPES intensity; also contained within these structure is variable "info" which describes experimental details of the ARPES measurement.
- IntensityCutTBLG134 and IntensityCutTBLG096 correspond to the supplementary figure 1, sub-figures (a) and (b) respectively.
DOI: 10.13145/bacdive2276.20240510.9
title: Granulicatella balaenopterae (Lawson et al. 1999) Collins and Lawson 2000

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00863
title: Dataset for "Indoor environment quality and work performance in ‘green’ office buildings in the Middle East"

description: This data was collected from 13 office buildings in Amman Jordan. It covers five green 'LEED' buildings and eight conventional buildings. The dataset includes the following:

1. Objective data of four thermal conditions indicators (air temperature, mean radiant temperature, relative humidity and air speed) and an indoor air quality indicator: carbon dioxide concentration level.
2. Subjective data include the post-occupancy evaluation (POE) and absenteeism and presenteeism data.
3. Thermal comfort indicators included thermal sensation votes, thermal preference vote, and predictive mean vote.
description: The objective data has two themes: continuous measurements and spot measurements. Continuous measurements were undertaken using Raspberry Pi-based sensors to investigate the actual performance of buildings over long time. Monitored buildings were provided with 83 Raspberry Pis to monitor air temperature and relative humidity, and 21 Raspberry Pis to monitor CO2.

The periodic spot measurements which complied with ISO 7730:2005 and ISO 7726:2001 were conducted to assist in evaluating the occupants’ thermal comfort and calculate the Predicted Mean Vote (PMV). Spot measures were done simultaneously to the time of the survey using the HD 32.3 instrument.
description: All monitored buildings were given a code as the organizations required their data to be anonymised.
description: Continuous measures: Raspberry Pi-based sensors

Spot measure: HD 32.3 kit from Delta OHM.
description: The data were categorized into two groups according to the building type: green and conventional.
DOI: 10.15125/bath-00867
title: Dataset for "Informed, involved or empowered? A typology of Western European autism policy, with a focus on designing policies for autistic empowerment"

description: The dataset consists of policy mapping to identify the characteristics of autism-specific, national-level policies from within the Western European and Others group as designated by the UN. The following data is included:

- List and download locations of autism policies.
- Coding data for policy instruments, including Category (as per Schneider and Ingram's typology), Instrument Type, Conditions, Goals, Actors and Funding.
- NVivo analysis of policy documents showing most frequently used words.
description: There were three qualifying criteria for inclusion of a national autism policy in the sample. I defined national policy as a policy emanating from a Parliament or Assembly with devolved powers over education, health and social care. Firstly, the Parliament or Assembly had to be in a country classified as Western European, defined as included in the United Nations Western European and Others Group (WEOG) dataset. Secondly, it had to have a current, autism-specific policy (a policy dealing exclusively with autism). This was to isolate autism policy from disability policy and ensure reliability. Thirdly, there had to be sufficient detail in the policy to enable the instrument types and other details to be coded. Twelve policies met these criteria. The dataset also identifies those policies which were excluded, and the reasons why.
description: Files were prepared in Microsoft Excel and NVivo.
DOI: 10.13145/bacdive2277.20240510.9
title: Isobaculum melis Collins 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-00868
title: Dataset for "Resource-efficient frequency conversion for quantum networks via sequential four-wave mixing"

description: This dataset contains the raw data files, and the Matlab analysis and plotting scripts, used to produce the experimental results presented in the manuscript "Resource-efficient frequency conversion for quantum networks via sequential four-wave mixing". The data within include seeded and unseeded degenerate four-wave-mixing spectra, Bragg-scattering four-wave-mixing spectra, and oscilloscope traces monitoring four-wave mixing sideband intensity. Numerical analysis of this data is performed to calculate Bragg-Scattering up- and down-conversion efficiencies as well as to investigate the pulse-to-pulse stability of degenerate FWM sidebands.
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., Parry, C., Gibson, O. R., Francis-Jones, R. J. A., and Mosley, P. J.,  2020.   Resource-efficient frequency conversion for quantum networks via sequential four-wave mixing.    arXiv.  Available from: https://doi.org/10.48550/ARXIV.2005.11227.
DOI: 10.13145/bacdive2278.20240510.9
title: Marinilactibacillus piezotolerans Toffin et al. 2005

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00869
title: Dataset for "Thermal environment perceptions from longitudinal study of indoor temperature profiles in inpatient wards"

description: This research investigated the indoor air temperature and relative humidity profiles for 18 patient rooms in surgical, medical, cardiology and oncology wards in two hospitals. Also, 522 patient thermal surveys were completed in parallel with the monitoring task. The monitoring covered the hottest summer months; June, July, August, September in 2018 in Saudi Arabia. The selected hospitals were (i) the International Medical Centre (IMC), Jeddah and (ii) King Abdullah Medical City (KAMC), Makkah.
description: Longitudinal monitoring of indoor temperature and relative humidity was conducted over an extended period of time. Thermal comfort surveys were administrated to inpatients.
description: 18 Raspberry Pi+3 dataloggers were mounted in 18 patient rooms across the two hospitals. Each datalogger has two sensors; a probe wire for temperature and a tiny sensor for humidity. Readings were transferred off the dataloggers every two weeks during site visits.
DOI: 10.15125/bath-00890
title: Dataset for "Comparison of the within-reader and inter-vendor agreement of left ventricular circumferential strains and volume indices derived from cardiovascular magnetic resonance imaging"

description: This dataset contains left ventricle endocardial contour data (and derived quantities) generated as part of a study to test the inter-user and inter-software repeatability of strain and volume measures of cardiac function. 

Seven users used two different software packages (ScanIP and OsiriX) to segment 30 short-axis MR images of a porcine heart, and repeated this twice. The same segmentation was also performed automatically using a third software, CVI42. Each instance of the data therefore contains the points that define the endocardial border for each attempt, as well as derived quantities such as circumferential strains and ;eft ventricular volume fractions

Finally, the specific data used to generate the plots, such as Bland-Altman plot, that appear in the paper are also presented.
description: Full details of software used to create the data are given in the paper. To view the images a standard DICOM viewer package such as Osirix, CVI42, ScanIP etc is required. To view the csv data a text editor or spreadsheet tool such as Excel is needed.
description: Within each folder there is a Readme file to explain the particular contents of that folder.
description: Further relevant documentation may be found in the following resources.

   Mansell, D. S., Frank, E. G., Kelly, N. S., Agostinho-Hernandez, B., Fletcher, J., Bruno, V. D., Sammut, E., Chiribiri, A., Johnson, T., Ascione, R., Bartlett, J. W., Gill, H. S., Fraser, K. H., and Cookson, A. N.,  2020.   Comparison of the within-reader and inter-vendor agreement of left ventricular circumferential strains and volume indices derived from cardiovascular magnetic resonance imaging.    PLOS ONE, 15(12), e0242908.  Available from: https://doi.org/10.1371/journal.pone.0242908.
DOI: 10.13145/bacdive2279.20240510.9
title: Marinilactibacillus psychrotolerans Ishikawa et al. 2003

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00891
title: Dataset for "The effect of acute citalopram on self-referential emotional processing and social cognition in healthy volunteers"
title: Acute_Citalopram_Self_Social_Cognition

description: This dataset is for a study examining whether acute administration of citalopram is associated with an increase in positive affective learning biases about the self and increases in prosocial behaviour. 41 healthy volunteers were randomised to either an acute 20 mg dose of citalopram (n = 20) or matched placebo (n = 21) in a between-subjects double-blind design. Participants completed computer-based cognitive tasks designed to measure referential affective processing, social cognition and expression of prosocial behaviours. This included a prisoners' dilemma task, the social evaluation learning task, a referential categorisation and recall task, an affective go/no-go association task and simple associative learning tasks. Participants also completed trait measures of mood and personality at baseline, and state measures of mood and side effects at baseline, post-drug and post-testing timepoints. Data for all questionnaire and cognitive task measures are included in this dataset in both raw and aggregated formats.
description: This study was pre-registered on Open Science Framework (https://osf.io/rn79v), which details the study methodology and data analysis plans. Briefly, this study used a randomised between-subject double-blind design where participants were allocated to receive an acute dose of citalopram (20 mg) or placebo. Participants completed a number of cognitive tasks and self-report questionnaires of mood and personality.
description: Data files were anonymised by generating hashed IDs to replace participant unique identifiers using the digest package in R. Variables which could potentially identify participants were removed, including specific employment details, specific language spoken as a first language, and age in years and months (only years were retained).
description: R version 3.6 was used to clean and analyse the data. Full details of the process for cleaning the data can be found in the Raw anonymised data R scripts. Full details for analysing the data can be found in the Acute_Citalopram_Paper_Statistics.Rmd file.
description: The data for this study has been separated into two parts (1) the merged raw files produced by each of the cognitive tasks / questionnaires, (2) the cleaned data files and scripts that reflect the data analysis reported in our paper.

For the raw data I have provided both .xlsx and .csv files, although I imported the data into R using .xlsx so there may be some discrepancies when using the .csv files with the R scripts. For the cleaned data for analysis I have provided the R dataframe files and .csv files. I imported the data into R using the dataframe files so again there may be discrepancies when using the R script with the .csv files. It is therefore recommended to use the .xlsx files for the raw data and the R dataframe files for the cleaned data if also using the accompanying R scripts.
DOI: 10.13145/bacdive2280.20240510.9
title: Trichococcus pasteurii (Schink 1985) Liu et al. 2002

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