cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-00892
title: Data for Arylboronic Acid-Catalyzed C-Alkylation and Allylation Reactions Using Benzylic Alcohols

description: Original, unprocessed data for all novel compounds in the associated paper. Data available includes 1H, 13C, 19F, and 11B Nuclear Magnetic Resonance (NMR) data, copies of mass spectrometry data, and copies of infra-red (IR) spectra.
description: Full experimental details for the preparation of each compound can be found in the Supplementary Information of the associated paper.

Infrared spectra were recorded on either a Shimadzu IRAffinity-1 Fourier transform IR spectrophotometer fitted with a Specac Quest ATR accessory (diamond puck) or on a Perkin-Elmer PerkinElmer Spectrum 100 ATR-FTIR spectrometer. Spectra were recorded of either thin films or solids, with characteristic absorption wavenumbers (νmax) reported in cm–1. 

1H, 13C{1H}, and 19F{1H} NMR spectra were acquired on either a Bruker AV300 (1H 300 MHz; 13C{1H} 75 MHz; 19F{1H} 282 MHz), a Bruker AV400 (1H 400 MHz; 13C{1H} 101 MHz; 19F{1H} 376 MHz), a Bruker AVII 400 (1H 400 MHz; 13C{1H} 101 MHz; 19F{1H} 376 MHz), a Bruker Neo 400 (1H 400 MHz; 13C{1H} 101 MHz; 19F{1H} 376 MHz), a Bruker AVIII-HD 500 (1H 500 MHz, 13C{1H} 126 MHz, 19F{1H} 470 MHz, 11B 160 MHz), a Bruker AVIII 500 (1H 500 MHz, 13C{1H} 126 MHz, 19F{1H} 470 MHz, 11B 160 MHz), or an Agilent ProPulse 500 (1H 500 MHz, 13C{1H} 126 MHz, 19F{1H} 470 MHz) in the deuterated solvent stated. All chemical shifts are quoted in parts per million (ppm) relative to the residual solvent peak. All coupling constants, J, are quoted in Hz. Multiplicities are indicated as s (singlet), d (doublet), t (triplet), q (quartet), m (multiplet), and multiples thereof. The abbreviation Ar denotes aromatic and app denotes apparent. NMR peak assignments were confirmed using 2D 1H correlated spectroscopy (COSY), 2D 1H−13C heteronuclear multiple-bond correlation spectroscopy (HMBC), and 2D 1H−13C heteronuclear single quantum coherence (HSQC) where necessary. 

Mass spectrometry (m/z) data were acquired by either electrospray ionisation (ESI), chemical ionisation (CI), electron impact (EI), atmospheric solids analysis probe (ASAP), atmospheric pressure chemical ionization (APCI) or nanospray ionisation (NSI) at either the University of St Andrews Mass Spectrometry Facility ([A] quoted), the EPSRC UK National Mass Spectrometry Facility at Swansea University ([A]+ or [A]– quoted), or at the University of Bath ([A]+ or [A]– quoted) using a TOF mass analyzer.
description: IR spectra were processed using Shimadzu IRsolution FTIR control software. Final processed spectra are available as PDF files.

NMR data were processed using MestReNova (v.11.0.2) available from Mestrelab Research S.L. Original unprocessed FID files and processed MestReNova files are available.

Mass spectroscopy data was used as received from the managed facilities. The spectra are available as PDF files.
description: The numbers of individual folders correspond to the compound numbers in the associated manuscript.
DOI: 10.15125/bath-00893
title: Data set for "Creation of regular arrays of faceted AlN nanostructures via a combined top-down, bottom-up approach"

description: The original data for parts of all figures in the paper, "Creation of regular arrays of faceted AlN nanostructures via a combined top-down, bottom-up approach", both in the main text and supplementary material, is provided here. Figures 1-5, 7 (all) are all .bmp files corresponding to raw scanning electron microscopy (SEM) images. Figure 6 (all) are JPEG files and correspond to growth mechanism schematics. Figure 8.eps and Figure 8 Raw Data.csv files are the plot presented in the main text, and the raw data file corresponding to this plot respectively. Figures 9-11 Supplementary Material are all atomic force microscopy (AFM) figures before any calibration adjustments. Figure 12 Supplementary Information.eps and Figure 12 Supplementary Information Raw Data.csv are the plot and the corresponding raw data file respectively presented in the supplementary material.
description: AlN nanostructures were fabricated and then MOVPE regrowth experiments were performed upon different regrown nanostructures. The data taken in the main text was in the form of SEM images. Other than figure 5, these were taken with a Hitachi Field-Emission S-4300 SE using a 5 kV electron beam using secondary electron detection. Figure 5 was taken with a FEI Quanta 250 variable pressure SEM, again detecting the secondary electron signal. The AFM images in the supplementary information were taken using a Bruker multimode IIIA AFM, utilising high resolution, high aspect ratio AFM tips.
description: Some of the SEM images were modified to have different contrast and brightness levels compared to the original images taken. Also, the images were cropped to remove the bottom and a scale bar inserted in to make them more aesthetically pleasing. The AFM images in the supplementary material were calibrated to be scaled properly as the raw data was distorted to some extent.
description: All SEM images (Figure 1-4, 7) apart from Figure 5 were taken with a Hitachi Field-Emission S-4300 SE using a 5 kV electron beam using secondary electron detection. Figure 5 was taken with a FEI Quanta 250 variable pressure SEM, detecting the secondary electron signal. Blender 2.83 was used to produce the 3-dimensional growth mechanism schematics in Figure 6. ImageJ 1.52a was used to extract quantitative data from the SEM images - this was presented in the two plots presented in the main text and supplementary information respectively (Figure 8 and Figure 12 supplementary information). The actual plotting of the data itself was performed using the Origin 8.5.1 software package. The AFM images presented in the supplementary material (Figures 9-11 supplementary material) were calibrated and analysed using the Gwyddion 2.55 software package (http://gwyddion.net/).
description: The data is organised in order according to each of the Figures presented in the associated publication and supplementary information.
DOI: 10.13145/bacdive2281.20240510.9
title: Trichococcus flocculiformis Scheff et al. 1984 emend. Liu et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2282.20240510.9
title: Trichococcus palustris (Zhilina et al. 1997) Liu 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-00895
title: Dataset for "Thermal resilience of ensilicated lysozyme via calorimetric and in vivo analysis"

description: This dataset contains a variety of data formats used to characterise the thermal resilience of ensilicated lysozyme. All raw data formats have been converted to *.csv or similar Excel format, which is editable. MATLAB is used to generate all graphs and files have been included in each folder where applicable. 

Specifically, data were generated using analytical methods such a differential scanning calorimetry, circular dichroism spectroscopy, enzyme-linked immunosorbent assay (ELISA) and thermogravimetric analysis. Data is sorted based on the figure order described in the article, including supplementary figures. Each folder contains a brief explanation on the contents.
description: Figure 1 - Field-Emission Scanning Electron Microscopy (FE-SEM) - samples were desiccated overnight before imaging and place on sticky carbon tape and imaged at various resolutions. Chromium was used to spin coat the samples.

Figure 2 - Micro Differential Scanning Calorimetry (µDSC) and Thermogravimetric analysis (TGA) coupled with Differential Thermal Analysis (DTA) and Mass Spectrometry (MS) or TGA-DTA-MS - liquid samples were analysed using the µDSC apparatus. Ensilicated and lyophilised material was analysed using TGA-DTA-MS. Measurement output was in weight loss (mg, milligram), heat flow (µDSC, DTA) and ion count (A, ampere).

Figure 3 - Enzcheck (trademark) Lysozyme assay kit (ThermoFisher) - samples catalytic activity compared to standard protein with validated activity in units(U)/ml. Substrate conversion measured using UV-vis. Data output in arbitrary format converted to U/ml.
 
Figure 4 - Enzyme Linked Immunosorbent Assay (ELISA) - Serum IgG responses to coated antigen measured by substrate conversion using UV-vis and normalised using reference antibody.
description: MATLAB r2015b used for graphical presentation. Excel used for processing data and Calisto software (Setsys) used for exporting DSC/DTA data.
DOI: 10.13145/bacdive2283.20240510.9
title: Trichococcus collinsii Liu et al. 2002 emend. Pikuta et al. 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2284.20240510.9
title: Trichococcus patagoniensis Pikuta 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-00897
title: Dataset supporting the paper: Anxiety Biases Audiovisual Processing of Social Signals

description: This dataset includes data on behavioural outcomes for the audiovisual emotion recognition tasks used in the publication, "Anxiety Biases Audiovisual Processing of Social Signals". In this study the authors investigated perception of happy and angry emotions within unimodal (audio- and visual-only), congruent and incongruent audiovisual displays in healthy adults with higher and lower levels of trait anxiety. The data is organised to facilitate replication of the ANCOVA analyses carried out in the aforementioned study. Data included in this dataset has already been pre-processed (i.e., univariate outliers have already been identified and dealt with).
description: This dataset contains data for behavioural outcomes from two audiovisual emotion recognition tasks involving three different types of emotional stimuli. Participants were asked to categorise emotion for three types of stimuli: (1) dynamic faces and voices, (2) point-light displays showing the body motion of two interacting agents and corresponding dialogues, and (3) circles and tones varying in brightness and pitch. For each of the three stimulus types participants completed two separate tasks where they had to identify whether stimuli were happy or angry from unimodal (audio- and visual-only), congruent and incongruent audiovisual displays.  The ‘Directed Attention Task’ aimed at examining the impact of anxiety on crossmodal interference by requiring participants to base their judgements exclusively on information from one modality (either audio or visual) while ignoring any concurrently presented information from the other modality. The ‘Undirected Attention Task’ did not require participants to focus their judgements on information from a particular modality, as they responded based on their ‘overall impression’ of the emotional content of the stimuli.
description: All the data in this dataset has been anonymised prior to sharing. Univariate outliers were identified as datapoints lying more than +/- 3 median absolute deviations from the median value.  Outliers have been winsorized prior to sharing (i.e. replaced with the next most extreme non-outlier value in the dataset).
description: Information on the layout of the data has been provided in the README sheet in each Excel spreadsheet file.
DOI: 10.13145/bacdive2285.20240510.9
title: Trichococcus ilyis Strepis et al. 2016

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2286.20240510.9
title: Trichococcus flocculiformis Scheff et al. 1984 emend. Liu et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2287.20240510.9
title: Lacticigenium naphthae Iino 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-00899
title: Dataset for article entitled "An empirical evaluation of methodologies used for emotion recognition via EEG signals"

description: The data is split into two parts according to the two experiments described within the article. The dataset includes movies and python codes for classifying emotions from experiment 1, and EEG and ERP measurements from experiment 2 along with associated code for analyzing those data.

Experiment 1 tests the validity of the SEED dataset collated by Zheng, Dong, & Lu (2014) and, subsequently, our own stimuli. The objective was to test whether previous literature using such datasets as the aformentioned dataset by Zheng et al. is purportedly classifying between emotions based on emotion-related signals of interest and/or non-emotional ‘noise’.  

Experiment 2 used stimuli that have been well-validated within the psychological literature as reliably evoking specific embodiments of emotions within the viewer, namely the NimStim face and ADFES-BIV datasets with the objective of classifying a person's emotional status using EEG.

All data was processed and analyses run in MATLAB or Python. All datasets used are included within the folders accompanied by the MATLAB or Python scripts for collating separable matrices and running the action.
description: Running the scripts requires MATLAB and Python 3 (with packages imageio, matplotlib, myknn, NumPy, pylab, SciPy, sklearn).
DOI: 10.13145/bacdive2289.20240510.9
title: Caryophanon latum Peshkoff 1939

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00906
title: Dataset for "Use of paediatric injectable medicines guidelines and associated medication administration errors: a human reliability analysis"

description: This dataset contains the raw discrepancy data from the post-hoc human reliability analysis performed for this paper. Video recordings of paediatric nurses preparing intravenous medicines during a resuscitation simulation (from a previous study) were re-analysed using human reliability analysis to identify discrepancies in the steps required to find and extract information from the NHS Injectable Medicines Guide (IMG) website. These data were combined with MAE data from the same original study. The dataset includes some medication error data from the previous study (dose and rate deviations, error severity score, clinically significant and large magnitude errors) and discrepancy data from this study (hierarchical task analysis node number, error mode, deviation contribution to an error, description of discrepancy).
description: Full details of the methodology may be found in the Methods section of the associated paper.
description: Further relevant documentation may be found in the following resources.

   Jones, M. D., Clarke, J., Feather, C., Franklin, B. D., Sinha, R., Maconochie, I., Darzi, A., and Appelbaum, N.,  2021.   Use of Pediatric Injectable Medicines Guidelines and Associated Medication Administration Errors: A Human Reliability Analysis.    Annals of Pharmacotherapy, 55(11), 1333-1340.  Available from: https://doi.org/10.1177/1060028021999647.
DOI: 10.15125/bath-00908
title: Dataset for "Rational whole-life carbon assessment using a dynamic climate model: Comparison of a concrete, steel and timber building structure"

description: This dataset concerns a research study on the embodied carbon assessment of building structures. It includes the numerical data which is plotted in the journal paper titled "Embodied carbon assessment using a dynamic climate model: Case-study comparison of a concrete, steel and timber building structure".

The data is in .csv format and is output from a numerical dynamic life cycle assessment, which models the climate impacts of greenhouse gas emissions. Each file relates to a figure in the associated paper, with full descriptions in the 'read-me' file.
description: The data is generated using a dynamic numerical climate model, as described in the associated publication. This enables a static embodied carbon calculation to be interpreted in terms of its climate impacts. Results are given on an annual sampling rate.
description: The file ReadMe.txt provides details on how the CSV files have been structured.
DOI: 10.13145/bacdive2293.20240510.9
title: Caryophanon tenue (ex Peshkoff 1939) Trentini 1988

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2296.20240510.9
title: Asticcacaulis benevestitus Vasilyeva 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-00914
title: Maple Code for "Locating Schumann Resonant Frequencies on a Single Particle Radiation Patterns Using Golden Ratio Spiral"

description: Predicting and locating Schumann resonances on a different single particle radiation patterns using Golden ratio spiral. Theoretically predicted radiation patterns in the Dataset for "Asymmetric Backward Peaking Radiation Pattern from a Relativistic Particle Accelerated by Lightning Leader Tip Electric Field" are used in conjunction with the Golden ratio spiral, which is explained in the paper "Locating Schumann Resonant Frequencies on a Single Particle Radiation Patterns Using Golden Ratio Spiral", to locate Schumann resonances. This theoretical idea is simulated for prediction and demonstration using a Maple software package that just consists of equations explained in the two aforementioned papers. Maple 2018.2 version was used on a 16Gb RAM computer to simulate the results.
description: Maple 2018.2 version was used on a 16Gb RAM computer to simulate the results.
DOI: 10.15125/bath-00917
title: Data sets for "Structural Investigation of Sulfobetaines and Phospholipid Monolayers at the air-water interface"

description: Normalized neutron and X-ray reflectivity data for Langmuir monolayers composed of mixtures of dimyristoylphosphatidylcholine, DMPC and a single 18-carbon tailed sulfobetaine, SB3-18 on pure water at room temperature and at surface pressures of 15 mN/m and 35 mN/m.

Neutron measurements are carried out on D2O and air contrast matched water. Measurements were carried out with deuterated and hydrogenated lipids.
description: Neutron reflectivity measurements were carried out on Inter at the ISIS Pulsed Neutron and Muon source at room temperature. Mixtures of DMPC and SB3-18 were investigates on D2O and air contrast matched water, ACMW. Deuterated phospholipid and sulfobetaine were used along with hydrogenated samples. 

X-Ray reflectivity measurements were carried out on I07 at The Diamond Light Source. As above mixtures of DMPC and SB3-18  were carried out  on a water subphase at room temperature under a helium atmosphere. 

For both data sets are carried out at two surface pressures, the surface pressure in both cases is controlled by a Nima Langmuir trough.
description: Neutron reflectivity data was stitched together and normalised using Mantid software. 

X-Ray reflectivity data was also normalised to the critical edge and by the incident flux at the Diamond light source.
description: Reflectivity data, here given as .dat files, can be fitted and plotted using a range of programs, the Motofit package for Igor Pro, the Motofit GUI or RASCAL are some examples.
DOI: 10.13145/bacdive2297.20240510.9
title: Brevundimonas diminuta (Leifson and Hugh 1954) Segers et al. 1994

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00918
title: Data for the publication 'Global Lightning Quanta'

description: This data is to illustrate the theory, data analysis, and exemplary results of the data described in the corresponding publication entitled 'Global Lightning Quanta'.
description: Full details of the methodology may be found in the associated manuscript.
description: The data is described in three different forms that build on each other in a logical and hierarchical order. 

(1) High level description: All the data is described in textual form in the corresponding publication in extensive detail. 

(2) Middle level description: The actual values of the data and their units which are used in the publication are embedded in the corresponding standard Matlab .m files, one for each Figure. The Matlab programming language is explained on the website https://uk.mathworks.com/help/matlab/getting-started-with-matlab.html?s_cid=learn_doc

(3) Low level description: The binary data used by the Matlab .m files are embedded in the corresponding Matlab .mat files, one for each Figure. These .mat files are independent of the computing platform used.
DOI: 10.13145/bacdive2298.20240510.9
title: Brevundimonas diminuta (Leifson and Hugh 1954) Segers et al. 1994

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00920
title: Dataset for "Deep Eutectic Solvent in Water Pickering Emulsions Stabilised by Cellulose Nanofibrils"

description: These files contain raw SAXS, rheology, and laser diffraction data associated with the paper titled "Deep Eutectic Solvent in Water Pickering Emulsions Stabilised by Cellulose Nanofibrils" in the form of .txt files. This includes information on menthol:dodecanoic acid in water emulsions stabilised with cellulose nanofibrils as well as starch, Tween-20, and SDS.
description: Rheological measurements of each sample were made using a stress-controlled Discovery Hybrid Rheometer, Model HR-3 (TA Instruments) with a sand-blasted 40 mm parallel plate geometry. The temperature was kept at 25 °C using a Peltier unit (±0.1 °C). Results were copied directly from the software to a tab delimited format.

SAXS data was collected on an Anton-Parr SAXSpoint 2.0, using an SDD of 556.9mm. Values for the two sets (1.5 wt% OCNF and 1.5 wt% C8-OCNF are not normalised to each other and so have offset in y). The instrument is known to have a single dead pixel which sometimes results in an anomolous single-point peak.

Droplet size data was collected using a Mastersizer 3000E laser diffraction particle size analyser (Malvern, UK). Droplet size is reported as Sauter diameter D[3,2] for easy comparison.