cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7488/ds/392
title: Pressure-induced localisation of the hydrogen-bond network in KOH-VI

description: Using a combination of ab initio crystal structure prediction and neutron diffraction techniques, we have solved the full structure of KOH-VI at 7 GPa. Rather than being orthorhombic and proton-ordered as had previously be proposed we find that this high-pressure phase of potassium hydroxide is tetragonal (space group I4/mmm) and proton disordered. It has an unusual hydrogen bond topology, where the hydroxyl groups form isolated hydrogen-bonded square planar (OH)4 units. This structure is stable above 6.5 GPa and, despite being macroscopically proton-disordered, local ice rules enforce microscopic order of the hydrogen bonds. We suggest the use of this novel type of structure to study concerted proton tunneling in the solid state, while the topology of the hydrogen bond network could conceivably be exploited in data storage applications based solely on the manipulations of hydrogen bonds. The unusual localisation of the hydrogen bond network under applied pressure is found to be favored by a more compact packing of the constituents in a distorted cesium chloride lattice.
DOI: 10.7488/ds/211
title: ARCHER CSE Performance Data and Service Report: Q4 2014

description: Data from SAFE (https://www.archer.ac.uk/safe) and Quarter 4 2014 Service Report from ARCHER Computational Science and Engineering Service. These contain data on usage and performance of the ARCHER CSE Service for Quarter 4 2014 (October - December 2014).
DOI: 10.7488/ds/210
title: ARCHER CSE Performance Data and Service Report: Q3 2014

description: Data from SAFE (https://www.archer.ac.uk/safe) and Quarter 3 2014 Service Report from ARCHER Computational Science and Engineering Service. These contain data on usage and performance of the ARCHER CSE Service for Quarter 3 2014 (July - September 2014).
DOI: 10.7488/ds/317
title: Label free biomarkers of stem cell differentiation to hepatocytes

description: Data from published paper. View the Readme.txt file for details. The .ics and .ids formats are from a Nikon microscope. They are (i) a stack of images at different focus levels, and (ii) metadata. These formats can be imported by the program FIJI ('Fiji Is Just ImageJ').
DOI: 10.7488/ds/1726
title: Sub-Surface Hydrology Dataset for the Jazira Region of Syria

description: This sub-surface hydrology dataset complements 13 other datasets as part of a study that compared ancient settlement patterns with modern environmental conditions in the Jazira region of Syria. This study examined settlement distribution and density patterns over the past five millennia using archaeological survey reports and French 1930s 1:200,000 scale maps to locate and map archaeological sites. An archaeological site dataset was created and compared to and modelled with soil, geology, terrain (contour), surface and subsurface hydrology and normal and dry year precipitation pattern datasets; there are also three spreadsheet datasets providing 1963 precipitation and temperature readings collected at three locations in the region. The environmental datasets were created to account for ancient and modern population subsistence activities, which comprise barley and wheat farming and livestock grazing. These environmental datasets were subsequently modelled with the archaeological site dataset, as well as, land use and population density datasets for the Jazira region. Ancient trade routes were also mapped and factored into the model, and a comparison was made to ascertain if there was a correlation between ancient and modern settlement patterns and environmental conditions; the latter influencing subsistence activities. This dataset includes water quality index values for sub-surface hydrology and also maps surface and sub-surface irrigation zones in the Jazira region. Evidence suggests that wells have been dug over the millennia to extract potable groundwater for human and animal consumption. It is feasible that groundwater could also have been extracted to irrigate gardens. Derived from 1:500,000 maps produced for following report: Food and Agriculture Organization (FAO), United Nations. Etude des Ressources en Eaux Souterraines de la Jezireh Syrienne. Rome: FAO, 1966.Sub-surface hydrology map was copied to mylar and scanned to create a polygon coverage. Attribute information includes water quality index values with a range of 0 to 6 with the latter value corresponding to high quality. Subsequently, each polygon was labelled and attributed with the water quality index values. GIS vector data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-06-30 and migrated to Edinburgh DataShare on 2017-02-21.
description: ESRI Shapefile
DOI: 10.7488/ds/359
title: Investigations into cluster formation with alkyl-tethered bis-calix[4]arenes
DOI: 10.7488/ds/280
title: The human Voice Areas: spatial organisation and inter-individual variability in temporal and extra-temporal cortices.

description: Abstract: FMRI studies increasingly examine functions and properties of non-primary areas of human auditory cortex. However there is currently no standardized localization procedure to reliably identify specific areas across individuals such as the standard 'localizers' available in the visual domain. Here we present an fMRI 'voice localizer' scan allowing rapid and reliable localization of the voice-sensitive 'temporal voice areas' (TVA) of human auditory cortex. We describe results obtained using this standardized localizer scan in a large cohort of normal adult subjects. Most participants (94%) showed bilateral patches of significantly greater response to vocal than non-vocal sounds along the superior temporal sulcus/gyrus (STS/STG). Individual activation patterns, although reproducible, showed high inter-individual variability in precise anatomical location. Cluster analysis of individual peaks from the large cohort highlighted three bilateral clusters of voice-sensitivity, or "voice patches" along posterior (TVAp), mid (TVAm) and anterior (TVAa) STS/STG, respectively. A series of extra-temporal areas including bilateral inferior prefrontal cortex and amygdalae showed small, but reliable voice sensitivity as part of a large-scale cerebral voice network. Stimuli for the voice localizer scan and probabilistic maps in MNI space are available for download.
description: Documentation of the file structure and metadata at: https://doi.org/10.7488/ds/283
DOI: 10.7488/ds/1764
title: Raw tracklog of Gower Peninsula Footpaths

description: A Kingston University first year undergraduate fieldtrip to the Welsh Gower Peninsula involving the survey of footpaths. This file involves one raw (unedited) tracklog from the Garmin Gecko GPS receivers. This is a GPX (GPS exchange file format). GIS vector data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-09-14 and migrated to Edinburgh DataShare on 2017-02-21.
description: GPX (GPS Exchange)
DOI: 10.7488/ds/281
title: Macromolecules 2015 "A Synthetic and Multispectroscopic Speciation Analysis of Controlled Radical Polymerization Mediated by Amine–Bis(phenolate)iron Complexes" - EPSRC EPSRC EP/M000842/1

description: The mechanism of reversible-deactivation radical polymerization (RDRP) mediated by chloro-substituted amine–bis(phenolate)iron complexes was studied via a combination of Mössbauer, EPR, NMR, and online Vis/NIR spectroscopy. It was found that styrene polymerization operates via an atom-transfer radical polymerization (ATRP) mechanism when alkyl halide is present, whereas an interplay between ATRP and organometallic-mediated radical polymerization (OMRP) equilibria occurs during MMA polymerization. The preparation of the amine–bis(phenolate)iron(II) complex, [O2NN′]FeII, allowed polymerizations to be performed under an OMRP-only regime free of alkyl halide that yields dispersities as low as 1.29 for MMA polymerization.
description: ZIP file containing Gel-permeation Chromatographs; compound spectroscopic information (NMR); X-ray crystallography cif files; in industry standard formats.
DOI: 10.7488/ds/1308
title: X-ray diffraction data for Streptococcus mutans SrtAN40

description: Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone. X-ray diffraction data from a single crystal of S. mutans SrtA-N40 truncation. Crystal produced from the following conditions: 1ul drops of protein at 10 mg/ml plus 1ul of well solution containing: 30 % w/v peg4000, 0.1 M Sodium acetate pH 4.6, 0.2 M Ammonium sulfate. 1 ml final volume in well. Data collected at Diamond Light Source 8th March 2014. Beam line I04-1. Structural model deposited in wwPDB as 4TQX. ## Note ## The file should be de-compressed with the bz2 algorithm and then untarred e.g. using 7-zip on Windows or "tar -tf" on Linux.
description: 3600 oscillation images of single crystal collected using a Pilatus 6M detector at Diamond Light Source Beamline I04-1. Images in compressed bzip archive.
DOI: 10.7488/ds/363
title: Raman spectroscopy of fibroblast cells from a Huntington’s disease patient

description: Raw dataset for Downes (2015) "Raman spectroscopy of fibroblast cells from a Huntington’s disease patient" In Submission. Set of Raman spectra from 20 individual cells from a patient with Huntington's disease (GM04281, Coriell Cell repository) and from 20 control fibroblasts from a healthy patient (1BR3, European Collection of Cell Cultures). "Normalised spectra" for each of 40 cells are scaled to unity. "Average spectrums" are calculated for each of the two cell types, and a principal component (PC) analysis is performed - the output of which is an array "principalcompmatrix" (rows 1-20 are control cells, rows 21-40 are Huntington's cells; columns are PC1, PC2, PC3... PC20). The spectrum of each PC is contained within "valuesofeachcomponent".
DOI: 10.7488/ds/106
title: ARC-Lake v1.1 - Ancillary

description: ARC-Lake v1.1 - Ancillary contains ancillary data products. This consists of the full resolution land/water mask used to determined where observations of Lake Surface Water Temperature (LSWT) and Lake Ice Cover (LIC) are derived and a reduced resolution version of this mask, corresponding to the resolution of the spatially resolved data products. The methodology used to define this land/water mask is described in the ARC-Lake Algorithm Theoretical Basis Document (ARCLake_ATBD_v_1_1.pdf) and a description of the format of these data files is provided in the ARC-Lake Data Product Description document (ARCLake_DPD_v1_1_2.pdf). Additional information about the ARC-Lake project and some basic data analysis tools can be found on the project website: http://www.geos.ed.ac.uk/arclake/ Please cite both this dataset and the related publication: * "MacCallum, Stuart N; Merchant, Christopher J. (2011). ARC-Lake v1.1 - Ancillary, 1995-2009 [Dataset]. University of Edinburgh. School of GeoSciences / European Space Agency. https://doi.org/10.7488/ds/106." * "MacCallum, S.N. and Merchant, C.J. (2012) Surface water temperature observations of large lakes by optimal estimation. Canadian Journal of Remote Sensing, 38 (1). pp. 25-45. ISSN 1712-7971 doi: 10.5589/m12-010"
description: This dataset contains ancillary data for ARCLake v1.1 data products. It consists of the land/water mask, used to define the locations of the lakes, on two grids with different resolution. AL_LW_MASK_020.nc.zip - land/water mask on a 1/20 degree grid, AL_LW_MASK_120.nc.zip - land/water mask on a 1/120 degree grid.
DOI: 10.7488/ds/254
title: Artificial Personality

description: This dataset is associated with the paper “Artificial Personality and Disfluency” by Mirjam Wester, Matthew Aylett, Marcus Tomalin and Rasmus Dall published at Interspeech 2015, Dresden. The focus of this paper is artificial voices with different personalities. Previous studies have shown links between an individual's use of disfluencies in their speech and their perceived personality. Here, filled pauses (uh and um) and discourse markers (like, you know, I mean) have been included in synthetic speech as a way of creating an artificial voice with different personalities. We discuss the automatic insertion of filled pauses and discourse markers (i.e., fillers) into otherwise fluent texts. The automatic system is compared to a ground truth of human ``acted" filler insertion. Perceived personality (as defined by the big five personality dimensions) of the synthetic speech is assessed by means of a standardised questionnaire. Synthesis without fillers is compared to synthesis with either spontaneous or synthetic fillers. Our findings explore how the inclusion of disfluencies influences the way in which subjects rate the perceived personality of an artificial voice.
DOI: 10.7488/ds/362
title: Wetting and evaporation of salt-water nanodroplets: A molecular dynamics investigation

description: This data is obtained by molecular dynamics simulations that are employed to study the wetting and evaporation of salt water nano droplets on platinum surfaces. The data also contains a second simulation system of a thin salt water film on a platinum surface, which is used to calculate the various surface tensions and verify the increase in the contact angle of salt water droplets with salt concentration.
description: The .xmol format is an XYZ file format which is used by VMD (Visual Molecular Dynamics).
DOI: 10.7488/ds/149
title: Output for Early Irish Law, Annals, and Computer Science

description: The CSV file contains the output of the change making algorithm as stored in the source file. The header contains the titles of the various social classes as defined in Bretha Crólige. The information stored in the table then contains the possible number of those classes killed in the fight on Whitsun day in 893.
DOI: 10.7488/ds/272
title: Experiment materials for "The temporal delay hypothesis: Natural, vocoded and synthetic speech."

description: Including disfluencies in synthetic speech is being explored as a way of making synthetic speech sound more natural and conversational. How to measure whether the resulting speech is actually more natural, however, is not straightforward. Conventional approaches to synthetic speech evaluation fall short as a listener is either primed to prefer stimuli with filled pauses or when they aren't primed they prefer more fluent speech. Reaction time experiments from psycholinguistics may circumvent this issue. In this paper, we revisit one such reaction time experiment. For natural speech, delays in word onset were found to facilitate word recognition regardless of the type of delay; be they filled pause (um), silent or a tone. We reused the materials for natural speech, and extended it to vocoded and synthetic speech. The results partially replicate previous findings. For natural and vocoded speech, if the delay is a silent pause, significant increases in the speed of word recognition are found. If the delay comprises filled pauses there is a significant increase in reaction time for vocoded speech but not for natural speech. For synthetic speech, no clear effects of delay on word recognition are found. We hypothesise this is because it takes longer (requires more cognitive resources) to process synthetic speech than natural or vocoded speech.
DOI: 10.7488/ds/367
title: Heat demand data for Edinburgh-Gogarbank in 2013

description: Heat demand data generated with a synthetic heat demand model from external temperature, annual heat demand and occupancy profile.
DOI: 10.7488/ds/1446
title: SUPERSEDED - General calibration of microbial growth in microplate readers: Data supporting Figures 1-3

description: ## This deposit has been replaced by the deposit at http://datashare.is.ed.ac.uk/handle/10283/2634 . ## Data supporting figures 1-3 of the paper (Stevenson et al, https://doi.org/10.1101/061861). Optical density (OD) measurements of microbial growth are one of the most common techniques used in microbiology, with applications ranging from antibiotic efficacy studies, studies of growth under different nutritional or stress environments, to studies of different mutant strains, including those harbouring synthetic circuits. OD measurements are performed under the assumption that the OD value obtained is proportional to the cell number, i.e. the concentration of the sample. However, the assumption holds true in a limited range of conditions and calibration techniques that determine that range are currently missing. Here we present a set of calibration procedures and considerations that are necessary to successfully estimate the cell concentration from OD measurements.
description: Data for the other figures are available in the Pilizota Lab DataShare Collection at http://datashare.is.ed.ac.uk/handle/10283/2058.
DOI: 10.7488/ds/1789
title: World Political Boundaries - Coarse

description: This file contains coarse world political boundaries in Shapefile format. If you require more detailed boundaries, please see "World Political Boundaries - Detailed" (http://hdl.handle.net/10672/124) on ShareGeo. The data is based on the "World Boundary Data bank - PC ARC/INFO 'Export' version from UNEP/GRID-Geneva" dataset: http://gcmd.nasa.gov/records/GCMD_GNV00019.html. World Boundary Databank; PC ARC/INFO 'EXPORT' Version The data is based on the "PC World Data Base" product from ESRI (April 1990), having been significantly modified and enhanced ... at GRID-Geneva. The data has been converted to ESRI Shapefiles by EDINA for ease of use in GIS. GIS vector data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-07-01 and migrated to Edinburgh DataShare on 2017-02-21.
description: ESRI Shapefile
DOI: 10.7488/ds/1709
title: SUPERSEDED - Matlab codes for "Refined Composite Multiscale Dispersion Entropy and its Application to Biomedical Signals"

description: Please see the updated Matlab codes for "Refined Composite Multiscale Dispersion Entropy and its Application to Biomedical Signals" at https://doi.org/10.7488/ds/1982 . Multiscale entropy (MSE) is a widely-used tool for the analysis of biomedical signals. It was proposed to overcome the deficiencies of conventional entropy methods when quantifying the complexity of time series. However, MSE is undefined for very short signals and slow for real-time applications as a result of using sample entropy (SampEn). To overcome these shortcomings, we introduce multiscale dispersion entropy (DisEn - MDE) as a very fast and powerful method to quantify the complexity of signals. MDE is based on our recently developed DisEn, which has a computation cost of O(N), compared with O(N^2) for SampEn. We also propose the refined composite MDE (RCMDE) to improve the stability of MDE. We evaluate MDE, RCMDE, and refined composite MSE (RCMSE) on synthetic signals and find that these methods show similar results but the MDE and RCMDE are significantly faster than MSE and RCMSE, respectively. The results also show that RCMDE is more stable than MDE and RCMSE for short and noisy signals, which are common in biomedical applications. To evaluate the proposed methods on real signals, three biomedical datasets, including focal and non-focal electroencephalograms (EEGs), blood pressure recordings in Fantasia database, and resting-state EEGs activity in Alzheimer's disease, are used. The results again show similar trends of RCMSE, MDE, and RCMDE, although the RCMDE and MDE are significantly faster and lead to larger differences between physiological conditions known to alter the complexity of the physiological recordings. To sum up, MDE and RCMDE are expected to be useful for the analysis of physiological signals thanks to their ability to distinguish different types of dynamics. The Matlab codes used in this paper are freely available here.
DOI: 10.7488/ds/1337
title: Data for "Chip level characterisation studies of Ni and NiFe electrochemical deposition using test structures"
DOI: 10.7488/ds/1770
title: Normal Year Precipitation Patterns Dataset for the Jazira Region of Syria

description: This dataset complements 13 other datasets as part of a study that compared ancient settlement patterns with modern environmental conditions in the Jazira region of Syria. This study examined settlement distribution and density patterns over the past five millennia using archaeological survey reports and French 1930s 1:200,000 scale maps to locate and map archaeological sites. An archaeological site dataset was created and compared to and modelled with soil, geology, terrain (contour), surface and subsurface hydrology and normal and dry year precipitation pattern datasets; there are also three spreadsheet datasets providing 1963 precipitation and temperature readings collected at three locations in the region. The environmental datasets were created to account for ancient and modern population subsistence activities, which comprise barley and wheat farming and livestock grazing. These environmental datasets were subsequently modelled with the archaeological site dataset, as well as, land use and population density datasets for the Jazira region. Ancient trade routes were also mapped and factored into the model, and a comparison was made to ascertain if there was a correlation between ancient and modern settlement patterns and environmental conditions; the latter influencing subsistence activities. This dataset was created to show precipitation patterns for normal years in the Jazira region; annual precipitation is measured in millimetres. The purpose of mapping was to compare precipitation and settlement patterns in the region. The northern half of the Jazira region receives adequate annual rainfall to sustain dry farming activities; during dry seasons, suitable rainfall is restricted to the northern edges of the region and in higher elevations. Derived from maps produced in following publication: Eugen Wirth: Syrien, eine geographsiche Landeskunde, Wissenschaftliche Buchgesellschaft, Darmstadt 1971.Normal year precipitation map was copied to mylar and scanned to create a polygon coverage. Each polygon was labeled and attributed with precipitation values measured in millimetres. GIS vector data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-09-14 and migrated to Edinburgh DataShare on 2017-02-21.
description: ESRI Shapefile
DOI: 10.7488/ds/303
title: p-type hybrid photodetector
DOI: 10.7488/ds/1396
title: BiVO4-TiO2 composite photocatalysts for dye degradation formed using the SILAR method - open data

description: Composite photocatalyst films have been fabricated by depositing BiVO4 upon TiO2 via a sequential ionic layer adsorption reaction (SILAR) method. The photocatalytic materials were investigated by XRD, TEM, UV-vis diffuse reflectance, ICP-OES, XPS, photoluminescence and Mott-Schottky analyses. SILAR processing was found to deposit monoclinic-scheelite BiVO4 nanoparticles onto the surface, giving successive improvements in the films’ visible light harvesting. Electrochemical and valence band XPS studies revealed that the prepared heterojunctions have a type II band structure, with the BiVO4 conduction band and valence band lying cathodically shifted from those of TiO2. The photocatalytic activity of the films was measured by the decolourisation of the dye rhodamine 6G using λ &gt; 400 nm visible light. It was found that 5 SILAR cycles was optimal, with a pseudo 1st order rate constant of 0.004 min-1. As a reference material the same SILAR modification has been made to an inactive wide band gap ZrO2 film, where the mismatch of conduction and valence band energies disallows charge separation. The photocatalytic activity of the BiVO4-ZrO2 system was found to be significantly reduced, highlighting the importance of charge separation across the interface. The mechanism of action of the photocatalysts has also been investigated, in particular the effect of self-sensitisation by the model organic dye and the ability of the dye to inject electrons into the photocatalysts conduction band.