cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.57982
title: Statistical Test Of Distance-Duality Relation With Type Ia Supernovae And Baryon Acoustic Oscillations (2Nd Version)

description: This package contains data and processing tools for replicating the research presented in the paper "Statistical Test of Distance-Duality Relation with Type Ia Supernovae and Baryon Acoustic Oscillations" (2016, preprint, arXiv:1604.04631 https://arxiv.org/abs/1604.04631).

An earlier version (https://zenodo.org/record/49825) has already been made available.  In this updated version, we use the recently released consensus BOSS BAO measurement results (arXiv:1607.03155) as the source of angular-diameter distances.  The choices of complementary cosmological parameters are expanded to include extensions to the Planck base-ΛCDM model parameters. In addition, various programming bugs are fixed.

The compressed archive file "ddmc-nosample-v2.tar.bz2" contains only the compressed SNIa data, the BAO measurements, and the Planck chain files.  The random samples can be re-created by the tools included in the package.  This is the file suitable for low-speed download.

The file "ddmc-v2.tar.bz2" contains the full set of random sample output files and analysis results in addition to those in the "ddmc-nosample-v2.tar.bz2" file.

The file "CHECKSUM-sha1" contains the SHA1 hash values for verifying file integrity.

Please read the README files in each package for more details and instructions.
DOI: 10.14469/hpc/1012
title: N_Tosyl_isoTS_2 (opt ts freq)

description: Gaussian Calculation
DOI: 10.5281/zenodo.58072
title: Sequences, Taxonomic Assignments, And R Script From Comparison Of Lava Cave Bacterial Mat Communities To Overlying Surface Soil Bacterial Communities From Lava Beds National Monument, Usa

description: This set of files contain the 16S rDNA, taxonomic assignments from the greengenes database, and the R script for processing the data.  

<strong>Abstract</strong>

Lava caves around the world often support extensive microbial mats on ceilings and walls in a range of colors. Little is known about lava cave microbial diversity and how these subsurface mats differ from microbial communities in overlying surface soils. We generated and analyzed bacterial 16S rDNA from 454 pyrosequencing from three colors of microbial mats (tan, white, and yellow) from seven lava caves in Lava Beds National Monument, CA, USA, and compared them with surface soils overlying each cave. <em>Actinobacteria</em> dominated in all samples, with 39% (caves) and 21% (surface soils). <em>Proteobacteria</em> made up 30% of phyla from caves and 36% from surface soil with <em>Gamma</em>- 20% and <em>Alpha</em>- 10% in the caves and <em>Gamma</em>- 18% with <em>Alpha</em>-17% in soil. Other major phyla in caves were <em>Nitrospirae</em> (7%) followed by Minor Phyla (7%), compared to surface soils with <em>Bacteriodetes</em> (8%) and Minor phyla (8%). A very high proportion (53.33%) of the most abundant sequences could not be identified to genus, indicating a high degree of novelty. Surface soil samples had more OTUs and greater diversity indices than cave samples. The same phyla were represented in both soils and cave microbial mats, but the overlap was only 11.2% at the operational taxonomic unit (OTU).  Although surface soil microbes immigrate into underlying caves, the environment selects for microbes able to live in the cave habitats, resulting in very different cave microbial communities. In terms of species richness, diversity by mat color differed, but not significantly. Number of entrances per cave, distance from an entrance, cave length, and temperature also contributed to observed differences in diversity. With high levels of novel microbes, caves may represent excellent habitats for the isolation of new bioactive compounds. This study is the first comprehensive comparisons of bacterial communities in lava caves with the overlying soil community.
DOI: 10.14469/hpc/1013
title: C_SO2py_Products_1 (opt freq)

description: Gaussian Calculation
DOI: 10.14469/hpc/1014
title: C_SO2py_Reactants_1 (opt freq)

description: Gaussian Calculation
DOI: 10.17632/5snrynxwn4.1
title: Car Advertisement

description: The database contains popular car advertisement of 70 years (1946-2015)
DOI: 10.15468/nreqxk
title: An Unusual New Theropod with a Didactyl Manus from the Upper Cretaceous of Patagonia, Argentina

description: This dataset contains the digitized treatments in Plazi based on the original journal article Sebastián Apesteguía, Nathan D. Smith, Rubén Juárez Valieri, Peter J. Makovicky (2016): An Unusual New Theropod with a Didactyl Manus from the Upper Cretaceous of Patagonia, Argentina. PLoS ONE 11 (7): 1-41, DOI: 10.1371/journal.pone.0157793
DOI: 10.17632/5snrynxwn4.2
title: Car Advertisement

description: The database contains popular car advertisement of 70 years (1946-2015)
DOI: 10.17632/jcmyx924yy.1
title: Research Data: The 2-Dimensional Structure Prediction of Triple-Negative Breast Cancer (TNBC) Biomarker non-coding RNA with Vienna RNA Package

description: This data is the computation result of miR-145, LINC-ROR, and mRNA ARF6 sequence with Vienna RNA Package and miRTAR-BASE.
DOI: 10.17632/t5x4dnz44v.1
title: Bioinformatics Approach towards Transcriptomics of Filaggrin

description: This is the output of VIENNA RNA PACKAGE computation for filagrin transcriptomics
DOI: 10.14469/hpc/1005
title: Noncatalytic Bromination of Benzene: A Combined Computational and Experimental Study
DOI: 10.14469/hpc/1011
title: tris(2,2,2-trifluoroethyl) (butylamino)borate gauche

description: Gaussian Calculation
DOI: 10.17863/cam.679
title: Research Data Supporting "Response bounds for complex systems with a localised and uncertain nonlinearity"

description: Experimental and numerical data used for comparisons. Further details can be found in readme.txt.
description: EPSRC Royal Academy of Engineering
DOI: 10.5281/zenodo.57955
title: Model-Based Space Engineering Ontology 1.1

description: This resource contains an ontology built for supporting the design of space systems in the scope of model-based systems engineering (MBSE). In MBSE, a conceptual model is shared across engineering disciplines involved in a project in order to enable exchange of engineering data and ensure the consistency of the overall design. This ontology specifies the means to specify a system's architecture, requirements, product structure design, operational design, functional design, reliability design, and functional verification. This resource was created in the course of research in the field of MBSE at Airbus DS which is further described in a paper currently under review for ISWC 2016. The paper will be provided after acceptance, as well as paper explaining the resource in further detail.
DOI: 10.5281/zenodo.57957
title: Magsat 1.1

description: This dataset contains the design of a spacecraft that was specified using the Model-Based Space Engineering Ontology (MBSE Ontology).

This satellite design is derived from an actual project data. This mission is representative for a mission in Phase B of the ESA project cycle, close to the Preliminary Design Review (PDR), utilizing data derived from a real project wherever possible. Data subject to intellectual property ownership issues was deliberately left out. For providing the necessary data to demonstrate this research, data not covered by the established engineering processes the ontologies are extended in a representative manner at required points. This approach allows using project data not subject to intellectual property issues whenever possible, and to extend this data at specific points when required for demonstration purposes.
DOI: 10.5281/zenodo.58094
title: Combat-Tb  Genome Annotation Graph Database

description: The Neo4J graph database containing annotation related to the M. tuberculosis H37Rv genome, created as part of the COMBAT TB project at the South African National Bioinformatics Institute (SANBI).
DOI: 10.17632/2p25kmm23j.3
title: Analysis of LINET lightning dataset

description: A dataset of lightning information for a particular region of cca 400 km2 of Croatian mainland, for a calendar year of 2014, has been obtained from the German company nowcast GmbH, which operates the European LINET lightning detection network. This dataset is proprietary and has been obtained for the research purposes only. It can't be shared with third parties due to licensing restrictions (contact nowcast GmbH for more information). This is a Jupyter (IPython) Notebook which contains Python source code, developed for the more-less general analysis of LINET datasets, and applied to the obtained dataset mentioned above. Notebook features seasonal, monthly, weekly, daily, and diurnal analysis of lightning activity. It also features bivariate kernel density estimation of geographical lightning density distribution, wind turbine effective height calculation, wind farm lightning incidence analysis from LINET data, kernel density estimation of lightning amplitudes probability distributions, and more. A simple attempt at lightning flash-cell identification using (density based) clustering techniques is attempted, along with its tracking and nowcasting, where nowcasting is attempted by means of weighted least squares linear regression. Jupyter Notebook has been rendered in HTML as well, and can be viewed without installing Python.
DOI: 10.17632/3pzd5v4chp.1
title: APINetworks Java. A Java approach to the efficient treatment of large-scale complex networks

description: We present a new version of the core structural package of our Application Programming Interface, APINetworks, for the treatment of complex networks in arbitrary computational environments. The new version is written in Java and presents several advantages over the previous C++ version: the portability of the Java code, the easiness of object-oriented design implementations, and the simplicity of memory management. In addition, some additional data structures are introduced for storing the sets of nodes and edges. Also, by resorting to the different garbage collectors currently available in the JVM the Java version is much more efficient than the C++ one with respect to memory management. In particular, the G1 collector is the most efficient one because of the parallel execution of G1 and the Java application. Using G1, APINetworks Java outperforms the C++ version and the well-known NetworkX and JGraphT packages in the building and BFS traversal of linear and complete networks. The better memory management of the present version allows for the modeling of much larger networks. The previous version of this program (AEWZ_v1_0) may be found at http://dx.doi.org/10.1016/j.cpc.2015.05.017.
DOI: 10.17863/cam.701
title: Research Data Supporting "Synthesis, Application and Carbonation Behaviour of Ca2Fe2O5 for Chemical Looping H2 Production"

description: Chemical looping hydrogen production uses the oxidation and reduction of metal oxides, typically iron, to produce hydrogen. This work focuses on the modification of iron oxide with calcium oxide to form an oxygen carrier containing di-calcium ferrite (Ca2Fe2O5), which presents favourable thermodynamics for achieving higher conversions of steam to hydrogen compared to chemically unmodified iron oxide. Different methods of synthesis, viz. mechanochemical synthesis and co-precipitation, were used to produce Ca2Fe2O5, and their resulting performances were compared. Consistent with thermodynamic predictions, it was found that CO2, or steam, was sufficient to fully regenerate the reduced carriers to Ca2Fe2O5. The cyclic stability of the oxygen carriers were studied in fluidised bed reactors and by thermogravimetric analysis (TGA). Good stability of the materials was observed for up to 50 cycles, with no evidence of agglomeration even up to 950 oC. The rate of deactivation was found to correlate with the purity of Ca2Fe2O5 and the presence of impurity phases such as CaFe2O4, which tended to segregate into its constituent elemental oxides. Carbonation of the oxygen carriers was examined by TGA, and was found to occur appreciably only for the reduced carrier (a mixture of CaO and Fe) between temperatures of 500 – 700 oC and 0.1 – 0.5 atm of CO2, whereas the oxidised carrier (viz. Ca2Fe2O5) did not carbonate. Fresh and cycled materials were characterised by XRD, SEM and BET analysis. Ca2Fe2O5 is a potentially viable material as an oxygen carrier for hydrogen production, but owing to thermodynamic limitations cannot be used for complete fuel oxidation.
description: EPSRC [EP/I070912/1] EPSRC [EP/K030132/1] Islamic Development Bank- Cambridge Internationational Scholarship EPSRC Doctoral Training Grant Cambridge Trusts
DOI: 10.17863/cam.702
title: Research Data Supporting "Resistance always comes with a cost: Three Drosophila species evolve parasitoid resistance by increasing circulating hemocyte numbers at the cost of competitive ability."

description: This data was collected from a series of experiments performed on three sets of selected lines of the species D. melanogaster, D. mauriatiana and D. simulans selected for resistance to the parasitoid wasp L. boulardi. The data included outlines the number of hemocytes in selected and control lines, the encapsulations rates, the costs of resistance and the ability to resist other parasitoids for each species. Also included are the scripts to produce each figure in the paper.
description: BBSRC ERC [281668, DrosophilaInfection]
DOI: 10.14469/hpc/1019
title: N_Tosyl_Reactant_1 (opt freq)

description: Gaussian Calculation
DOI: 10.14469/hpc/1020
title: isoC_SO2py_Product_1 (opt freq)

description: Gaussian Calculation
DOI: 10.14469/hpc/1021
title: N_Tosyl_Product_1 (opt freq)

description: Gaussian Calculation
DOI: 10.17632/cw95t56hjv.1
title: MISTA 2013 Challenge - sourcecode of my contribution

description: This is the sourcecode of my contribution to the MISTA 2013 Challenge.
DOI: 10.17863/cam.689
title: Research Data Supporting "Numerical Investigation of Boundary Layers in Wet Steam Nozzles"

description: Results of CFD predictions made by Steamblock (and Ansys CFX) for different well-known wet steam nozzle test cases.
description: EPSRC [EP/K02115X/1]
DOI: 10.14469/hpc/1015
title: RUWFOE model of two boron units no PT

description: Gaussian Calculation
DOI: 10.17632/z36kfdtw9b.1
title: Haemonchus contortus- climate and distribution in australia 2016

description: Predictive distributional modeling of H.contortus based on climatic variables. The distribution of H.contortus outbreaks were sourced from larval cultures submitted to diagnostic laboratories throughout 2014-5. These were used to validate the model. The probability of the habitat being suitable is based on 19 long-term average bioclimatic variables that were downloaded from www.worldclim.org (Hijmans et al., 2005).
DOI: 10.5281/zenodo.58056
title: Trypanosoma Brucei L-Threonine Dehydrogenase High Resolution Diffraction Images.

description: Diffraction images obtained in the high resolution pass for apo-L-threonine dehydrogenase from <em>T. brucei</em>.
description: Manuscript in preparation.
DOI: 10.17632/5snrynxwn4.3
title: Car Advertisement

description: The database contains popular car advertisement of 70 years (1946-2015)
DOI: 10.17632/5snrynxwn4.4
title: Car Advertisement (Study Materials)

description: The database contains popular car advertisement of 70 years (1946-2015)
DOI: 10.17632/wb6yvr725d.2
title: A semi-simulated EEG/EOG dataset for the comparison of EOG artifact rejection techniques

description: This work presents a semi-simulated EEG dataset, where artifact-free EEG signals are manually contaminated with ocular artifacts following the model proposed by [1]. The significant part of this dataset is that it contains the pre-contamination EEG signals, so the brain signals underlying the EOG artifacts are known and thus the performance of every artifact rejection technique can be objectively assessed. The main differences of the proposed dataset compared to others (p.e. see [2,3]) is that it is focused only on EOG artifacts, using a realistic model for the contamination of artifact-free EEGs and not a random procedure. [1] T. Elbert, W. Lutzenberger, B. Rockstroh, N. Birbaumer, Removal of ocular artifacts from the EEG--a biophysical approach to the EOG., Electroencephalogr. Clin. Neurophysiol. 60 (1985) 455–63. http://www.ncbi.nlm.nih.gov/pubmed/2580697 (accessed April 10, 2013). [2] X. Yong, M. Fatourechi, R.K. Ward, G.E. Birch, Automatic artefact removal in a self-paced hybrid brain- computer interface system, J. Neuroeng. Rehabil. 9 (2012) 50. doi:10.1186/1743-0003-9-50. [3] A.K. Abdullah, C.Z. Zhang, A.A.A. Abdullah, S. Lian, Automatic Extraction System for Common Artifacts in EEG Signals Based on Evolutionary Stone’s BSS Algorithm, Math. Probl. Eng. 2014 (2014) 1–25. doi:10.1155/2014/324750.
DOI: 10.17632/5snrynxwn4.5
title: Car Advertisement (Study Materials)

description: The database contains popular car advertisement of 70 years (1946-2015). For example 25 image from the database are given here, rest can be accessed online from the related link given.
DOI: 10.14469/hpc/1026
title: transSM_2 (opt)

description: Gaussian Calculation
DOI: 10.14469/hpc/1027
title: cisSM_2 (opt)

description: Gaussian Calculation
DOI: 10.14469/hpc/1028
title: transSM_NMR_1 (NMR)

description: Gaussian Calculation
DOI: 10.14469/hpc/1029
title: cisSM_NMR_1 (NMR)

description: Gaussian Calculation
DOI: 10.14469/hpc/1030
title: P_Tosyl_TS_1 (opt ts freq)

description: Gaussian Calculation
DOI: 10.17632/c37bvvxp3z.1
title: ESI and MSI data sets2

description: Check the referred paper
DOI: 10.5281/zenodo.58171
title: Impacts Of Food Limitation On Resistance Of <i>Bombus Impatiens</i>  (Hymenoptera: Apidae) To The Gut Parasite <i>Crithidiai</i>  (Trypanosomatida: Trypansomatidae)

description: Data and R scripts for Conroy et al. experiment testing effects of nectar and pollen limitation on parasite load and survival of bumble bees (Bombus impatiens) infected with Crithidia
DOI: 10.14469/hpc/1047
title: isoN_tosyl_Reactant_1 (opt freq)

description: Gaussian Calculation
DOI: 10.15468/vzhdvy
title: Data collected on scitizen science web portal www.ornitho.cat

description: Collection of field observations shared by citizens. The observations is uploaded to GBIF at a resolution of 1x1 km, except for some species of conservation concern for which data are shown at 10x10 km resolution. Data are referred of all vertebrates except marine fishes, dragonflies, diurnal butterflies, crickets, grasshoppers, cicadas, freshwater bivalves and decapods.
It has been uploaded one record of every observed species in every UTM 1x1 km or 10x10 km selected randomly of the global data registered in www.ornitho.cat
DOI: 10.5281/zenodo.58172
title: Diffraction Data For Yeast 5-Aminolaevulinic Acid Dehydratase Complexed With 4,7-Dioxosebacic Acid.

description: Diffraction images for the complex of yeast ALAD with 4,7-dioxosebacic acid which were collected at the ESRF (Grenoble) using an ADSC detector at beamline ID14-4.
description: The two files correspond to the high- and low-resolution passes.
description: {"references": ["'The X-ray structure of yeast 5-aminolaevulinic acid dehydratase complexed with two diacid inhibitors.' P. T. Erskine, L. Coates, R. Newbold, A. A. Brindley, F. Stauffer, S. P. Wood, M. J. Warren, J. B. Cooper, P. M. Shoolingin-Jordan & R. Neier. (2001). FEBS Lett. 503, 196-200."]}
DOI: 10.5281/zenodo.58198
title: Timing Properties And Correctness For Structured Parallel Programs On X86-64 Multicores - Dataset

description: Multicore architec- tures are increasingly common, but real architectures have unpredictable timing properties, and even correctness is not obvious when systems are built on the relaxed-memory concurrency models that are enforced by commonly-used hardware. This paper takes a rigorous approach to correctness and timing properties, examining common locking protocols from first principles, and extending this through queues to structured parallel constructs. We prove functional correctness and derive simple timing models, extending these for the first time from low-level machine operations to high-level parallel patterns. Our derived high-level timing models for structured parallel programs allow us to accurately predict upper bounds on program execution times on x86-64 multicores. 

 

This package contains all the datasets from the paper.
DOI: 10.5281/zenodo.58173
title: Diffraction Images For Yeast 5-Aminolevulinic Acid Dehydratase Complexed With Mercury And Lead Ions.

description: The diffraction images corresponding to the data used to refine the Hg- and Pb- complexes of yeast ALAD as described in this paper: ‘MAD analyses of yeast 5-aminolaevulinate dehydratase. Their use in structure determination and in defining the metal binding sites.’ P.T. Erskine, E.M.H. Duke, I.J. Tickle, N. Senior, M.J.Warren and J.B. Cooper. Acta Crystallogr. D. (2000), D56, 421-430.
DOI: 10.17632/c37bvvxp3z.2
title: ESI and MSI data sets2

description: Check the referred paper
DOI: 10.15468/4ze7tr
title: Reef Life Survey: Global reef fish dataset

description: This dataset contains records of bony fishes and elasmobranchs collected by Reef Life Survey (RLS) divers along 50 m transects on shallow rocky and coral reefs, worldwide. Abundance information is available for all records found within quantitative survey limits (50 x 5 m swathes during a single swim either side of the transect line, each distinguished as a Block), and out-of-survey records are identified as presence-only (Method 0).
DOI: 10.17863/cam.705
title: Research Data Supporting "The microstructure and hardness of Ni-Co-Al-Ti-Cr quinary alloys"

description: DSC files, neutron diffraction data, hardness measurements, SEM and TEM images and thermodynamic simulations are provided for all alloy compositions studied and presented in this manuscript. The naming convention is provided in the manuscript along with the composition of each alloy.
description: EPSRC [EP/H022309/1], EPSRC [EP/H500375/1], EPSRC [EP/M005607/1], The Canadian Neutron Beam Centre [CNBC-1007]
DOI: 10.17863/cam.709
title: Research Data Supporting "Disrupting the constitutive, homodimeric protein–protein interface in CK2β using a biophysical fragment–based approach"

description: figures and raw data related to publication
description: Wellcome Trust [090340/Z/09/Z]
DOI: 10.5281/zenodo.58269
title: Simulation Data For: "Piezochromic Effects In Cds Nanocrystals: The Roles Of Size, Ligands And Pressure"

description: This folder contains all the input and output files for the simulations performed in the publication "Piezochromic effects in CdS nanocrystals: the roles of size, ligands and pressure". The data is organised as follows: /pseudos contains the PAW potentials used in all calculations

/Geom_relax contains the data for the BFGS optimization of all nanocrystals under pressure using the electronic enthalpy method and optimizing in steps of 1GPa or above from 0 to 15GPa

/COND  contains the data for the conduction space optimization performed on the structures relaxed at various pressures

/LDOS contains the data for the projected DOS obtained from a joint valence-conduction basis where the DOS has been decomposed in terms of the chemical environment of atoms (eg core,surface, corner, Cd, S, etc...). A 0.1 eV Gaussian smearing is applied for generating plots.

/TDDFT contains the LR-TDDFT calculations using the optimized valence-conduction basis following Geometry relaxation and conduction optimization. The absorption spectra are obtained by convolving a Gaussian of 0.05 eV on the stick spectra obtained at the end of calculations. Please refer to the user manuals on the ONETEP website (www.onetep.org) for further details regarding how to perform these calculations

All calculations were performed with ONETEP version 3.1 or above (specified in the output of each calculation).
description: Sponsorship: This work was supported by EPSRC grants EP/F037457/1, EP/K013831/1 and EP/G036888/1.