cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15125/bath-00779
title: Dataset for "Continuous flow for materials synthesis, assembly and crystallisation at Diamond: discovery and delivery of high value materials"

description: Continuous crystallisation of the model system Carbamazepine (CBZ) in ethanol in the KRAIC-D (Kinetically Regulated Automated Input Crystalliser - Diffraction) platform on beamline I11 (high resolution powder diffraction) is presented. The effect of introducing a controlled solid interface into the crystallisation process is investigated, where CBZ form III seeds are introduced in polymorphic purity at different seeding positions (pre- and post-nucleation) throughout the length of the KRAIC-D. The video associated with Chapter 4 corresponds with a post-nucleation CBZ form III experiment where a separation of crystal habit is observed as a result of the different interaction with the flow paths in the solution slugs with the segmented flow. 

The second device is the KRAIC-S (Kinetically Regulated Automated Input Crystalliser - Single Crystal) platform installed at I19 (small molecule single crystal beamline) employed to investigate the continuous crystallisation of paracetamol (PCM) in 60:40 water:isopropanol via a range of experiments including unseeded and seeded cooling crystallisations. The unseeded experiments also looked at the crystallisation at different set points along the KRAIC-S (6.7 m and 8.7 m) to investigate crystal growth and crystal rotation at different length scales. The videos associated with Chapter 5 include single crystals produced from the range of experiments investigated. Each video tracks a different single crystal in a solution slug, where through use of the slug triggering mechanism, whereby an optical trigger prompts translation of the motorised stage to artificially suspend the single crystal in the X-ray beam during data collection. These videos complement the diffraction data and can provide explanation for data collections, which do not achieve cell indexation as the single crystal is shown to move in and out of the X-ray beam in these videos.
description: Videos obtained using Camera positioned by X-ray beam on beamline I19, the small molecule single crystal beamline at Diamond Light Source.
DOI: 10.13145/bacdive2249.20240510.9
title: Alloiococcus otitis Aguirre and Collins 1992

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00784
title: Underreporting of drug industry payments  to patient organisations in the UK (2012-2016)

description: This online dataset comprises web supplements (WS) accompanying the paper entitled “An underreported relationship: a comparative study of pharmaceutical industry and patient organisation payment disclosures in the UK (2012-2016)”.

The dataset includes aggregated information from

1. yearly disclosure reports published by 63 UK-based drug companies including payments made to patient organisations; 
2. yearly financial accounts produced by 200 UK-based charities and published on charity regulator websites. 

The data is divided into web supplements 3-20 which are signposted throughout the Results section of the above-mentioned article as “web supplement XX”.
description: The methodology is described in full in the Data sources and extraction section of the paper entitled "An underreported relationship: a comparative study of pharmaceutical industry and patient organisation payment disclosures in the UK (2012-2016)". 

In brief, the data collection process involved downloading disclosure reports including payments to patient organisations made by a sample of 108 companies participating in the Disclosure UK initiative in 2016 (https://www.abpi.org.uk/our-ethics/disclosure-uk/). We subsequently searched for the annual accounts of patient organisations identified in drug company payment disclosure reports on the websites of the three UK charity regulators, that is the Charity Commission for England and Wales (https://www.gov.uk/government/organisations/charity-commission), the Scottish Charity Regulator (https://www.oscr.org.uk/) and the Charity Commission for Northern Ireland (https://www.charitycommissionni.org.uk/). The payment data from drug company payment disclosure reports and charity annual accounts was extracted into two separate Excel spreadsheets. 

We subsequently combined payment records form the two spreadsheets into a single excel spreadsheet comprising a series of drug company by patient organisation matrices corresponding with different types of analysis carried out as part of our research study.

In total, this online dataset comprises 17 web supplements with the results of calculations based on these matrices. The web supplements correspond with and provide additional background information for specific subsections in the Results section of the article entitled "An underreported relationship: a comparative study of pharmaceutical industry and patient organisation payment disclosures in the UK (2012-2016)".
description: The data was created using Excel (primarily "countifs", "sumifs", and "V-lookup" functions)
description: The data is organised into 17 appendices which correspond with specific parts of the Results section of the paper entitled "An underreported relationship: a comparative study of pharmaceutical industry and patient organisation payment disclosures in the UK (2012-2016)".
DOI: 10.13145/bacdive2250.20240510.9
title: Atopococcus tabaci Collins 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-00783
title: A Dataset on the Discourse, Approach and Outcomes of UN Peacekeeping, 1993–2019

description: This dataset is based on NVivo coding of each UN Security Council resolution since Resolution 864 (1993) until the end of year 2019 (Resolution 2503) for their reference to protection. Every word "protect" and words stemmed from it, is coded for its (a) referent object, (b) agent, and (c) method of protection. 

  - Categories of referent object used in the coding are (a) protector itself (UN and other humanitarian workers), (b) partisan referent (constituencies of one but not the other conflicting party), (c) cosmopolitan (referent object is what chapter 1 of the source book defines as “global civilian”), (d) the environment, (e) other.

  - Categories for agent of protection are (a) UN Security Council, (b) UN General Assembly, (c) UN Secretary General or Secretariat, (d) Other UN, (e) Peacekeeping operation, (f) Conflicting party, (g) External Western agent, (h) External non-Western agent, (i) Representative regional agent, (j) National or international law.

  - Method of protection is classified simply as power-centric or not power-centric. The definition of power-centricity is from Chapter 1 of the source book.

In addition to data on the UN discourse, which originates from the UNSC resolution depository (https://www.un.org/securitycouncil/content/resolutions-0), there are variables on the number of fatalities in countries where UN conducts peacekeeping, before, during and after UN operation during the post-Cold War era. These files also contain data on the development of fatalities in countries where unilateral protective operations have been conducted. All conflict fatality data is annual and taken from Uppsala Conflict Data Program’s annual battle deaths data, data on one-sided violence, and data on non-state conflict.

Definitions and data on state fragility and fatalities of conflict is from the source book, and from Kivimäki, Timo 2019a. The Failure to Protect. The Path to and Consequences of Humanitarian Interventionism. Cheltenham: Edward Elgar Publishing.

The data enables the study of the relationships between discursive developments, discursive strategies and approaches on the one hand and the development of fatalities of violence where UN operations take place. It enables comparison between UN peacekeeping operations and comparison in time.
description: The data was collected from United Nations Security Council Resolution texts by using NVIVO program. The results of the NVIVO codings were exported to a Stata file which allows for the statistical treatment of the data.
description: NVIVO was used for the coding of text, Stata program was used to store the quantitative data on the coding, and for the creation of additional variables from the coded frequencies.
description: The raw data that reveals the coding is available in NVIVO files, while the results of the coded analysis of the texts is stored in Stata files.
DOI: 10.15125/bath-00788
title: Early examples of the ionic capital

description: The dataset originated in a study of the early development of the Ionic capital, which was particularly concerned with the relationship between the elongate Cycladic form and the more symmetrical and eventually dominant Ionian. In the course of the study a number of exemplars were surveyed by laser scanning, and reconstructed digitally using a parametric surface modeller. Both the surveyed and the reconstructed forms were prepared in formats suitable for 3D reproduction by rapid prototyping. The exemplars represented include:

1. Naxian sphinx – Delphi Museum;
2. Votive column of Alexitides, Sangri – Naxos Museum 8;
3. Temple at Yria – Naxos Muesum;
4. Votive capital – Paros Museum 775;
5. Votive column of Archilochos – Paros Museum 733;
6. Votive with sphinx – Delos Museum 583;
7. Corner capital – Delos Museum;
8. Votive from Oropos – National Museum Athens 4797;
9. Athena Nike, Athens – British Museum London;
10. Myus – Pergamon Museum, Berlin;
11. Erechtheion, Athens – British Museum London;
12. Propylaea – Athens - in situ.
description: Point clouds are in .asc ASCII point cloud format. Solid models are in .stl stereolithography format: see https://en.wikipedia.org/wiki/STL_(file_format). Images are in JPEG format.
description: Further relevant documentation may be found in the following resources.

   Wilson Jones, M., and Richens, P.,  2008.   The scholarly and practical problem.         Bath: University of Bath.   Available from: https://web.archive.org/web/2011/http://www.bath.ac.uk/ace/methodology/.
DOI: 10.15125/bath-00789
title: Early examples of the ionic capital. 7: Corner Capital – Delos Museum

description: The dataset originated in a study of the early development of the Ionic capital, which was particularly concerned with the relationship between the elongate Cycladic form and the more symmetrical and eventually dominant Ionian. In the course of the study a number of exemplars were surveyed by laser scanning, and reconstructed digitally using a parametric surface modeller. Both the surveyed and the reconstructed forms were prepared in formats suitable for 3D reproduction by rapid prototyping. This exemplar represents a corner capital from the Delos Museum.
description: Point clouds are in .asc ASCII point cloud format. 3D models are in .3dm openNURBS (Rhinoceros 3D) format (https://www.rhino3d.com/opennurbs).
description: Further relevant documentation may be found in the following resources.

   Wilson Jones, M., and Richens, P.,  2008.   The scholarly and practical problem.         Bath: University of Bath.   Available from: https://web.archive.org/web/2011/http://www.bath.ac.uk/ace/methodology/.
DOI: 10.13145/bacdive2251.20240510.9
title: Atopostipes suicloacalis Cotta 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/bacdive2253.20240510.9
title: Carnobacterium divergens (Holzapfel and Gerber 1984) Collins et al. 1987

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00791
title: Dataset for "Rheological Modification of Partially Oxidised Cellulose Nanofibril Gels with Inorganic Clays"

description: This dataset contains the rheological and SAXS data for mixtures of either Laponite or montmorillonite with oxidised cellulose nanofibril dispersions in water.
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, and normalised to maximum instensity before exporting to .txt format.
description: There are two .zip files: one containing rheological data, one containing SAXS data.
DOI: 10.13145/bacdive2255.20240510.9
title: Carnobacterium gallinarum Collins et al. 1987

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00793
title: Data set for "UK Passivhaus and the energy performance gap"

description: This is a data set of space heating demand from 97 certified Passivhaus homes in the UK . The dataset is used to compare measured space heating demand with the predicted space heating demand generated at design stage using Passive House Planning Package. This comparison was used to demonstrate there is no performance gap ( difference between predicted and measured energy use) in Passivhaus homes. This is of interest as many new and existing homes in the UK use much more energy than predicted. 
This evidence has been used to add weight to the argument that the Passivhaus standard should become the norm for the UK.
description: This data collates data from three sources
1. Data from the Technlogy Strategy Board's Building Performance Evaluation Program, which is available on the 
2. Data from Passivhaus consultants - this is not public data
3. Data from home owners - this is not public data.

Data was collected using a variety of the methods, outline in the paper
description: Data was collated in R software
DOI: 10.13145/bacdive2256.20240510.9
title: Carnobacterium mobile Collins et al. 1987

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive2258.20240510.9
title: Carnobacterium maltaromaticum (Miller et al. 1974) Mora 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/bacdive2262.20240510.9
title: Carnobacterium maltaromaticum (Miller et al. 1974) Mora 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-00792
title: Dataset for ‘“Hot Edges” in Inverse Opal Structure Enable Efficient CO2 Electrochemical Reduction and Sensitive in-situ Raman Characterization’

description: This dataset contains the results of finite difference time domain (FDTD) calculations of electromagnetic fields and charge density near/on a surface with an inverse opal structure, and the results of COMSOL Multiphysics simulations of the same structure. The calculations were performed in Lumerical FDTD and COMSOL Multiphysics software. The results support the publication "“Hot Edges” in Inverse Opal Structure Enable Efficient CO2 Electrochemical Reduction and Sensitive in-situ Raman Characterization".
description: The data were obtained by simulating a surface with inverse opal structure in Lumerical Finite Difference Time Domain (FDTD) software and COMSOL Multiphysics software. Details of the simulations are described in the related publication.
description: Further relevant documentation may be found in the following resources.

   Yang, Y., Ohnoutek, L., Ajmal, S., Zheng, X., Feng, Y., Li, K., Wang, T., Deng, Y., Liu, Y., Dong, X., Valev, V., and Zhang, L.,  2019.   “Hot Edges” in Inverse Opal Structure Enable Efficient CO2 Electrochemical Reduction and Sensitive in-situ Raman Characterization.    Journal of Materials Chemistry A, 7(19), 11836-11846.   Available from: https://researchportal.bath.ac.uk/en/publications/hot-edges-in-inverse-opal-structure-enable-efficient-co2-electroc.
DOI: 10.15125/bath-00798
title: Dataset for "Evidence for the existence of an inductive effect in superionic conductors"

description: This dataset contains the computational data and analysis for the paper "Evidence for the existence of an inductive effect in superionic conductors." It includes input and output files for the DFT calculations, performed using VASP, and lightweight analysis scripts used to produce CSV files used to plot the figures in the associated publication.
description: All calculations were performed using VASP. Input files for each calculation are contained within the dataset.
description: Relevant data were extracted using the included python scripts, these can be run on the data as-provided to regenerate the data used to plot the figures in the associated publication. These scripts are contained within the directory '/lgps_analysis'.
description: The necessary open-source Python packages required to run the included scripts are pymatgen and pandas, both of which are available from PyPI.
description: The dataset is downloadable as a gzipped tar file (.tgz). To extract the files run
```
tar -xzvf lgps_data.tgz
```

To rerun the DFT calculations in this dataset the appropriate pseudopotentials are needed. These are not included in this dataset due to the VASP license conditions. Each calculation directory contains a corresponding `POTCAR.spec` file that specifies the pseudopotentials used. These calculations use pseudopotentials from the VASP 5.4 set.
DOI: 10.13145/bacdive2263.20240510.9
title: Carnobacterium maltaromaticum (Miller et al. 1974) Mora 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-00797
title: Dataset for "Impact of wormlike micelles on nano and macroscopic structure of TEMPO-oxidized cellulose nanofibrils hydrogels"

description: The data set contains ASCII files (comma delimited) for the following:

- Small-angle neutron scattering (SANS) curves and fits for  cocamidopropyl betaine (CAPB),  cocamidopropylamine oxide (CAPOx) and sodium lauroyl sarcosinate (SLS) as a function of the surfactant concentration in sodium chloride (NaCl) 1wt% in 100% heavy water (deuterium oxide, D2O).
- SANS curves and fits for CAPB/sodium dodecyl sulphate (SDS),  CAPOx/SDS and CAPB/SLS as a function of the surfactant concentration in NaCl 1wt% in 100% D2O.
- Oscillatory shear frequency sweeps for CAPB/SDS and CAPOx/SDS solution at 60/60 mM of surfactant in aqueous NaCl 1wt%.
- SANS curves and fits for CAPB, CAPOx and SLS mixtures as a function of the surfactant concentration in oxidized cellulose nanofibrils (OCNF) 1wt% in aqueous NaCl 1wt% in 100% D2O.
- Oscillatory shear frequency sweeps for CAPB, CAPOx and SLS mixtures as a function of surfactant concentration in OCNF 1wt% in aqueous NaCl 1wt%.
- Oscillatory shear frequency sweeps for CAPB/SDS, CAPOx/SDS and CAPB/SLS mixtures as a function of surfactant concentration in OCNF 1wt% in aqueous NaCl 1wt%. 
- Oscillatory shear amplitude sweeps CAPB/SDS, CAPOx/SDS and CAPB/SLS mixtures as a function of surfactant concentration in OCNF 1wt% in aqueous NaCl 1wt%.
- SANS curves and fits for CAPB/SDS in 100wt% D2O,  CAPOx/SDS in 100wt% D2O and CAPB/SDS in 15wt% D2O mixtures as function of the surfactant concentration in OCNF 1wt%/NaCl 1wt%.
description: Rheological measurements were conducted on a stress-controlled Discovery Hybrid Rheometer, Model HR-3 (TA Instruments, USA) equipped with a sand-blasted 40 mm parallel plate geometry over a sand-blasted lower plate. Temperature was controlled via a Peltier unit (±0.1 °C) and kept at 25 °C. A thin layer of low viscosity mineral-oil was added to the edge of the geometry to prevent sample evaporation. Oscillatory amplitude sweeps were done at a fixed angular frequency (ω) of 6.28 rad·s-1 and amplitude strain (γ) from 0.01 to 100%. Frequency sweeps were conducted at γ of 0.1%, within the linear viscoelastic range, covering ω of 0.01 to 50 rad·s-1. All samples were measured between 24 and 48 hrs after preparation.
Small-angle neutron scattering (SANS) measurements were conducted on the time-of-flight diffractometer instrument SANS2d at the STFC ISIS Neutron and Muon Source (Didcot, UK). Incidental wavelengths from 1.75 to 16.5 Å were used with a sample-to-detector distance of 4 m, corresponding to a total scattering vector range q from 4.5 × 10-3 to 0.75 Å-1. The sample temperature was controlled by an external circulating thermal bath (Julabo, DE). The scattering intensity was converted to the differential scattering cross-section in absolute units using ISIS standard procedures. Samples were loaded in 1 mm path length, 1 cm wide optical quartz cells. Constrast match experiments were done at 15 wt% D2O, which is the contrast match point for the surfactant mixtures. All other SANS experiments were done in 100 wt% D2O.
DOI: 10.13145/bacdive2264.20240510.9
title: Carnobacterium funditum Franzmann et al. 1993

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00796
title: Data for: "Bed Expansion Properties of Tissue Engineering Particles in a Fluidised Bed Bioreactor"

description: This dataset contains useful particle characterization and bed expansion measurements for the creation of a revised correlation to enable fluidised bed bioreactor operations to be predicted for tissue engineering (TE) particles: single cells, spheroids and gel beads. The data is organised in an Excel spreadsheet with each tab relating to a specific figures and tables in the paper.
description: Full details of the methodology can be found in the 'Materials and Methods' section of the associated manuscript.
description: Further relevant documentation may be found in the following resources.

   Pinheiro De Lucena-Thomas, J., Boonprasirt, P., Luetchford, K., De Bank, P., and Ellis, M.,  2020.   Bed expansion properties of tissue engineering particles in a fluidised bed bioreactor.    Biochemical Engineering Journal, 160.   Available from: https://researchportal.bath.ac.uk/en/publications/bed-expansion-properties-of-tissue-engineering-particles-in-a-flu.