cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14278/rodare.912
title: Data for: Influence of Muscovite (001) Surface Nanotopography on Radionuclide Adsorption studied by kinetic Monte Carlo Simulations

description: Raw Data for the Publication: Influence of Muscovite (001) Surface Nanotopography on Europium Adsorption studied by kinetic Monte Carlo Simulations Kinetic Monte Carlo (KMC) simulations were performed on the (001) muscovite face.<br> KMC simulations were divided in two parts: (1) surface dissolution (2) europium (Eu3+) adsorption to resulting surface Simulation Settings:<br> - Surface Size [unit cells]: 700 in a, 300 in b, 8 in c<br> - Dissolved Atoms: 2,000,000<br> - Adsorbed Atoms: 300,000 KMC Simulations:<br> - Case(I) [1PitDepth6] : One single etch pit with a depth of 6 unit cells or ~12 nm / 10 Simulation Runs<br> - Case(II) [6PitsDepth1] : Six inital etch pits with depths of 1 uni cell or ~2 nm / 10 Simulation Runs<br> - Study of etch pit depth vs. number of octahedral surface atoms [OctahedralSitesDepth]: Six simulations with pit depths from 1 to 6 unit cells / 1 Simulation Run each Produced Output Data from KMC Simulations. Each Run contains:<br> - Number of Adsorbed Atoms and Time (Ad_Num.txt)<br> - Number of Adsorbed Atoms by Position and Time (Ad_Site_Stat.txt)<br> - Number of Dissolved Atoms and Time (diss_num_1.txt)<br> - Number of Dissolved Atoms by Position and Time (site_stats_1.txt)<br> - Four Files for Adsorption Visualization (Ad_mov_01 to _04.pdb)<br> - Four Files for Dissolution Visualization (m_mov_001_1 to _4.pdb) .pdb files can be opened and viewed by using the Visual Molecular Dynamics (VMD) viewer (https://www.ks.uiuc.edu/Research/vmd/)<br> Humphrey, W., Dalke, A. and Schulten, K., "VMD - Visual Molecular Dynamics", J. Molec. Graphics, 1996, vol. 14, pp. 33-38.
DOI: 10.14278/rodare.911
title: Data for: Influence of Muscovite (001) Surface Nanotopography on Radionuclide Adsorption studied by kinetic Monte Carlo Simulations

description: Raw Data for the Publication: Influence of Muscovite (001) Surface Nanotopography on Europium Adsorption studied by kinetic Monte Carlo Simulations Kinetic Monte Carlo (KMC) simulations were performed on the (001) muscovite face.<br> KMC simulations were divided in two parts: (1) surface dissolution (2) europium (Eu3+) adsorption to resulting surface Simulation Settings:<br> - Surface Size [unit cells]: 700 in a, 300 in b, 8 in c<br> - Dissolved Atoms: 2,000,000<br> - Adsorbed Atoms: 300,000 KMC Simulations:<br> - Case(I) [1PitDepth6] : One single etch pit with a depth of 6 unit cells or ~12 nm / 10 Simulation Runs<br> - Case(II) [6PitsDepth1] : Six inital etch pits with depths of 1 uni cell or ~2 nm / 10 Simulation Runs<br> - Study of etch pit depth vs. number of octahedral surface atoms [OctahedralSitesDepth]: Six simulations with pit depths from 1 to 6 unit cells / 1 Simulation Run each Produced Output Data from KMC Simulations. Each Run contains:<br> - Number of Adsorbed Atoms and Time (Ad_Num.txt)<br> - Number of Adsorbed Atoms by Position and Time (Ad_Site_Stat.txt)<br> - Number of Dissolved Atoms and Time (diss_num_1.txt)<br> - Number of Dissolved Atoms by Position and Time (site_stats_1.txt)<br> - Four Files for Adsorption Visualization (Ad_mov_01 to _04.pdb)<br> - Four Files for Dissolution Visualization (m_mov_001_1 to _4.pdb) .pdb files can be opened and viewed by using the Visual Molecular Dynamics (VMD) viewer (https://www.ks.uiuc.edu/Research/vmd/)<br> Humphrey, W., Dalke, A. and Schulten, K., "VMD - Visual Molecular Dynamics", J. Molec. Graphics, 1996, vol. 14, pp. 33-38.
DOI: 10.48420/14424143
title: Kenan Tepe; details of the artefacts analysed (Campbell & Healey 2016)

description: Details of the obsidian artefacts from Kenan Tepe, analysed by pXRF. <br>Campbell, Stuart, and Elizabeth Healey. "Multiple sources: The pXRF analysis of obsidian from Kenan Tepe, SE Turkey." <i>Journal of Archaeological Science: Reports</i> 10 (2016): 377-389.
DOI: 10.48420/14424143.v2
title: Kenan Tepe; details of the artefacts analysed (Campbell & Healey 2016)

description: Details of the obsidian artefacts from Kenan Tepe, analysed by pXRF. <br>Campbell, Stuart, and Elizabeth Healey. "Multiple sources: The pXRF analysis of obsidian from Kenan Tepe, SE Turkey." <i>Journal of Archaeological Science: Reports</i> 10 (2016): 377-389.
DOI: 10.48420/14424143.v1
title: Kenan Tepe; details of the artefacts analysed (Campbell & Healey 2016)

description: Details of the obsidian artefacts from Kenan Tepe, analysed by pXRF. <br>Campbell, Stuart, and Elizabeth Healey. "Multiple sources: The pXRF analysis of obsidian from Kenan Tepe, SE Turkey." <i>Journal of Archaeological Science: Reports</i> 10 (2016): 377-389.
DOI: 10.6084/m9.figshare.11669685
title: The role of maternal effects on offspring performance in familiar and novel environments

description: We estimated genetic and maternal effects for four life-history traits and host egg laying preference in a seed beetle (<i>Callosobruchus macullatus</i>, Chrysomelidae) using a half-sib/full-sib split brood design with two different host types - original vs. novel. We used cowpea (<i>Vigna unguiculata</i>, Fabaceae) as the original and mung bean (<i>V. radiata</i>) as the novel host species in our experiment.
DOI: 10.5517/ccdc.csd.cc23npgy
title: CCDC 1956300: Experimental Crystal Structure Determination

description: Related Article: Richard E. Wilson, Tyler J. Carter, Matthieu Autillo, Samantha Stegman|2020|Chem.Commun.|56|2622|doi:10.1039/C9CC07612C
DOI: 10.6084/m9.figshare.11669685.v2
title: The role of maternal effects on offspring performance in familiar and novel environments

description: We estimated genetic and maternal effects for four life-history traits and host egg laying preference in a seed beetle (<i>Callosobruchus macullatus</i>, Chrysomelidae) using a half-sib/full-sib split brood design with two different host types - original vs. novel. We used cowpea (<i>Vigna unguiculata</i>, Fabaceae) as the original and mung bean (<i>V. radiata</i>) as the novel host species in our experiment.
DOI: 10.5517/ccdc.csd.cc23nphz
title: CCDC 1956301: Experimental Crystal Structure Determination

description: Related Article: Richard E. Wilson, Tyler J. Carter, Matthieu Autillo, Samantha Stegman|2020|Chem.Commun.|56|2622|doi:10.1039/C9CC07612C
DOI: 10.6084/m9.figshare.11669685.v1
title: The role of maternal effects on offspring performance in familiar and novel environments

description: We estimated genetic and maternal effects for four life-history traits and host egg laying preference in a seed beetle (<i>Callosobruchus macullatus</i>, Chrysomelidae) using a half-sib/full-sib split brood design with two different host types - original vs. novel. We used cowpea (<i>Vigna unguiculata</i>, Fabaceae) as the original and mung bean (<i>V. radiata</i>) as the novel host species in our experiment.
DOI: 10.5517/ccdc.csd.cc24cbnj
title: CCDC 1977107: Experimental Crystal Structure Determination

description: Related Article: Ya-Ping Gong, Jian Yang, Ji-Wang Fang, Qian Li, Zhi-Yong Yu, Aijiao Guan, Han-Yuan Gong|2021|RSC Advances|11|15030|doi:10.1039/D0RA06274J
DOI: 10.5517/ccdc.csd.cc228mdd
title: CCDC 1914913: Experimental Crystal Structure Determination

description: Related Article: Debiao Huo, Feifei Lin, Shani Chen, Yueran Ni, Ranhao Wang, Hong Chen, Lele Duan, Yongfei Ji, Aiju Zhou, Lianpeng Tong|2020|Inorg.Chem.|59|2379|doi:10.1021/acs.inorgchem.9b03250
DOI: 10.5517/ccdc.csd.cc228mbb
title: CCDC 1914911: Experimental Crystal Structure Determination

description: Related Article: Debiao Huo, Feifei Lin, Shani Chen, Yueran Ni, Ranhao Wang, Hong Chen, Lele Duan, Yongfei Ji, Aiju Zhou, Lianpeng Tong|2020|Inorg.Chem.|59|2379|doi:10.1021/acs.inorgchem.9b03250
DOI: 10.6084/m9.figshare.11897247
title: Egg size does not universally predict embryonic resources and hatchling size across annual killifish species

description: These data come from comparative experiments on egg content in five species of annual killifish. Our aim was to test egg size as a predictor for other egg parameters and hatchling size.<br>The data files used with the R script linked to the "Egg size does not universally predict embryonic resources and hatchling size across annual killifish species" manuscript consist of: - datasets for egg weights and hatchling data collected in 2017 ("weights 2017.txt" and "hatch 2017.txt") - additional dataset on weights and hatchlings from 2015 ("weights 2015.txt" and "hatch 2015.txt") - triglyceride content dataset along with reference data ("TC data 2017. csv" and "TC ref 2017. csv") and collated data for Figure 1 ("Fig 1.txt").<br>These datafiles are necessary to run the R script for the resulting HTML overview of the annotated analyses in R software we did.<br>
DOI: 10.6084/m9.figshare.11897247.v1
title: Egg size does not universally predict embryonic resources and hatchling size across annual killifish species

description: These data come from comparative experiments on egg content in five species of annual killifish. Our aim was to test egg size as a predictor for other egg parameters and hatchling size.<br>The data files used with the R script linked to the "Egg size does not universally predict embryonic resources and hatchling size across annual killifish species" manuscript consist of: - datasets for egg weights and hatchling data collected in 2017 ("weights 2017.txt" and "hatch 2017.txt") - additional dataset on weights and hatchlings from 2015 ("weights 2015.txt" and "hatch 2015.txt") - triglyceride content dataset along with reference data ("TC data 2017. csv" and "TC ref 2017. csv") and collated data for Figure 1 ("Fig 1.txt").<br>These datafiles are necessary to run the R script for the resulting HTML overview of the annotated analyses in R software we did.<br>
DOI: 10.5281/zenodo.4721451
title: (D6.5_dataset01) Hydraulic schemes for the hybridGEOTABS concept

description: A set of hydraulic schemes for hybridGEOTABS concepts suitable for various EU climates and system operation modes. These schemes provide additional guidance for HVAC designers during feasibility and mostly pre-design stage. They enable the HVAC engineer to consider the hydraulic connection between the basic hybridGEOTABS concept modules and auxiliary equipment required to implement the concept. <br>
description: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 723649
DOI: 10.5281/zenodo.4721450
title: (D6.5_dataset01) Hydraulic schemes for the hybridGEOTABS concept

description: A set of hydraulic schemes for hybridGEOTABS concepts suitable for various EU climates and system operation modes. These schemes provide additional guidance for HVAC designers during feasibility and mostly pre-design stage. They enable the HVAC engineer to consider the hydraulic connection between the basic hybridGEOTABS concept modules and auxiliary equipment required to implement the concept. <br>
description: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 723649
DOI: 10.15161/oar.it/73750
title: CovidStat project data

description: This record contains the daily updated data of the CovidStat project. CovidStat is a project carried out by the CovidStat Working Group at INFN, whose creation was promoted within the Italian National Institute of Nuclear Physics with the aim of making a statistical analysis of the data provided daily by the Civil Protection on the spread of the pandemic in Italy. CovidStat data can interactively be browsed at https://covid19.infn.it.
description: The software to process this Root TTree is in the related identifier. Be sure to use the right corresponding version, based on the data in which Root TTree was generated.
DOI: 10.6084/m9.figshare.7321751
title: Limited scope for reproductive senescence in wild populations of a short-lived fish (data & R code)

description: Here, we store the data and R code from our manuscript 'Limited scope for reproductive senescence in wild populations of a short-lived fish', where we tested whether annual killifish fecundity declines with age in the wild.
DOI: 10.6084/m9.figshare.7321751.v1
title: Limited scope for reproductive senescence in wild populations of a short-lived fish (data & R code)

description: Here, we store the data and R code from our manuscript 'Limited scope for reproductive senescence in wild populations of a short-lived fish', where we tested whether annual killifish fecundity declines with age in the wild.
DOI: 10.6084/m9.figshare.7234925
title: Reverse P-hacking: when non-significant results are preferred (dataset)

description: The data were analysed for the presence of selective reporting of non-significance and/or reverse P-hacking in the field of behavioural ecology.<br>On 1 February 2018, we searched for articles published between 1990 and 2018 in three leading behavioural ecology journals: <i>Animal Behaviour, Behavioral Ecology</i>, and <i>Behavioral Ecology and Sociobiology,</i> that had ‘experiment* AND control*’ in the ‘topic’ category in the ISI Web of Science database (1081 articles). We then searched these articles for tests of whether the mean value of confounding variables differed between treatment(s) and control groups where subjects were randomly assigned to groups. We only included confounding variables that involved measurements made on test subjects or groups of subjects (e.g. body mass, blood glucose, brood size). To identify papers with suitable data, we first read Abstract, Methods and Results to see if there was any indication that the study was likely to include tests for confounding variables differing between control and treatment groups (i.e. studies that involved experimental manipulation). We recorded: the name of the confounding variable, P-values or statistical significance statements associated with tests for a difference, the sample sizes.
DOI: 10.6084/m9.figshare.7234925.v9
title: Reverse P-hacking: when non-significant results are preferred (dataset)

description: The data were analysed for the presence of selective reporting of non-significance and/or reverse P-hacking in the field of behavioural ecology.<br>On 1 February 2018, we searched for articles published between 1990 and 2018 in three leading behavioural ecology journals: <i>Animal Behaviour, Behavioral Ecology</i>, and <i>Behavioral Ecology and Sociobiology,</i> that had ‘experiment* AND control*’ in the ‘topic’ category in the ISI Web of Science database (1081 articles). We then searched these articles for tests of whether the mean value of confounding variables differed between treatment(s) and control groups where subjects were randomly assigned to groups. We only included confounding variables that involved measurements made on test subjects or groups of subjects (e.g. body mass, blood glucose, brood size). To identify papers with suitable data, we first read Abstract, Methods and Results to see if there was any indication that the study was likely to include tests for confounding variables differing between control and treatment groups (i.e. studies that involved experimental manipulation). We recorded: the name of the confounding variable, P-values or statistical significance statements associated with tests for a difference, the sample sizes.
DOI: 10.6084/m9.figshare.7234925.v8
title: Reverse P-hacking: when non-significant results are preferred (dataset)

description: The data were analysed for the presence of selective reporting of non-significance and/or reverse P-hacking in the field of behavioural ecology.<br>On 1 February 2018, we searched for articles published between 1990 and 2018 in three leading behavioural ecology journals: <i>Animal Behaviour, Behavioral Ecology</i>, and <i>Behavioral Ecology and Sociobiology,</i> that had ‘experiment* AND control*’ in the ‘topic’ category in the ISI Web of Science database (1081 articles). We then searched these articles for tests of whether the mean value of confounding variables differed between treatment(s) and control groups where subjects were randomly assigned to groups. We only included confounding variables that involved measurements made on test subjects or groups of subjects (e.g. body mass, blood glucose, brood size). To identify papers with suitable data, we first read Abstract, Methods and Results to see if there was any indication that the study was likely to include tests for confounding variables differing between control and treatment groups (i.e. studies that involved experimental manipulation). We recorded: the name of the confounding variable, P-values or statistical significance statements associated with tests for a difference, the sample sizes.
DOI: 10.5281/zenodo.4724927
title: Enterobase cgMLST scheme for Salmonella enterica prepared for usage with chewBBACA

description: cgMLST scheme used for analysis in https://www.frontiersin.org/articles/10.3389/fmicb.2021.649517 The cgMLST scheme for <em>Salmonella </em>was downloaded on June 11, 2018 from Enterobase (http://enterobase.warwick.ac.uk/) using the web API. As the sequencing data of the study was published at a later date, this ensured that the downloaded cgMLST scheme did not already contain allele numbers from our dataset. From the 3002 loci in Enterobase, 3000 loci can be utilized in chewBBACA, as it is required that that all loci represent a coding sequence. The command for preparing the scheme was: <pre><code class="language-bash">chewBBACA.py PrepExternalSchema -i referenced/Enterobase_Senterica/fasta/ --cpu 16 -v</code></pre>
DOI: 10.5281/zenodo.4724926
title: Enterobase cgMLST scheme for Salmonella enterica prepared for usage with chewBBACA

description: cgMLST scheme used for analysis in https://www.frontiersin.org/articles/10.3389/fmicb.2021.649517 The cgMLST scheme for <em>Salmonella </em>was downloaded on June 11, 2018 from Enterobase (http://enterobase.warwick.ac.uk/) using the web API. As the sequencing data of the study was published at a later date, this ensured that the downloaded cgMLST scheme did not already contain allele numbers from our dataset. From the 3002 loci in Enterobase, 3000 loci can be utilized in chewBBACA, as it is required that that all loci represent a coding sequence. The command for preparing the scheme was: <pre><code class="language-bash">chewBBACA.py PrepExternalSchema -i referenced/Enterobase_Senterica/fasta/ --cpu 16 -v</code></pre>
DOI: 10.18716/nmrshiftdb2/10021964
title: NMR data for 5-phenyl-1,2,3,3a,4,6a-hexahydropentalene , pentalene, 1,2,3,3a,4,6a-hexahydro-5-phenyl- , InChI=1S/C14H16/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14/h1-3,5-6,9,12-13H,4,7-8,10H2 (INChI), SXUCCUNKJVXSSB-UHFFFAOYSA-N (InChI Key), InChI=1/C14H16/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14/h1-3,5-6,9,12-13H,4,7-8,10H2 (InChI with fixed H layer), c1ccc(cc1)C2=CC3CCCC3C2 (SMILES)
DOI: 10.6084/m9.figshare.12361493
title: Impact of COVID 19 on Doctoral and Early Career Researchers

description: SMaRteN, in partnership with Vitae, conducated research into the impact of COVID-19 on the working lives of doctoral researchers and research staff.<br><br>SMaRteN www.smarten.org.uk The UK Research and Innovation (UKRI) funded Student Mental Health Research Network (SMaRteN) is working to support and encourage better research into student mental health. SMaRteN is based at Institute of Psychiatry, Psychology and Neurosciences at King’s College London. <br>Vitae is a non-profit programme supporting the professional and career development of researchers. www.vitae.ac.uk @vitae_news <br><br>Covid-19 and the associated lock down has caused substantive disruption to the study and work of doctoral students and researchers in universities. The response to the pandemic has varied across universities and research funders.<br><br>SMaRteN and Vitae aim to develop a national picture for how doctoral researchers and research staff have been affected by the pandemic.<br><br>​The survey includes questions relating to the impact of COVID-19 on research work, mental wellbeing, social connection. We further address the impact of COVID-19 on changes to employment outside of academia, living arrangements and caring arrangements and the consequent effect of these changes on research work. The survey considers the support provided by supervisors / line managers and by universities. <br>Please note, Time 2 (follow up) data was collected, corresponding to this survey, in September / October 2020. This can be accessed via the link at the bottom of the page.<br>Data available here as either an SPSS or Excel download:SPSS file contains labels Excel file contains labels and brief notes about coding<br>Recoding data for CV19 impact - SPSS Syntax file describes steps taken to code data <br>CV19_impact_on_researchers - word document, export from Qualtrics of the survey. <br>Qualitative data - Benefits and Challenges of the lockdown. Respondents gave qualitative responses to a number of questions. We are slowly cleaning these up to get them fully anonymised. At the moment, we have only done this for the sample (approximately 1,000) of responses that have been analysed to look at the benefits and challenges of the lockdown.<br>Please note, data has been removed from this data set to ensure participant anonymity.<br>For further information, please contact Dr Nicola Byrom - nicola.byrom@kcl.ac.uk<br>
DOI: 10.6084/m9.figshare.12361493.v2
title: Impact of COVID 19 on Doctoral and Early Career Researchers

description: SMaRteN, in partnership with Vitae, conducated research into the impact of COVID-19 on the working lives of doctoral researchers and research staff.<br><br>SMaRteN www.smarten.org.uk The UK Research and Innovation (UKRI) funded Student Mental Health Research Network (SMaRteN) is working to support and encourage better research into student mental health. SMaRteN is based at Institute of Psychiatry, Psychology and Neurosciences at King’s College London. <br>Vitae is a non-profit programme supporting the professional and career development of researchers. www.vitae.ac.uk @vitae_news <br><br>Covid-19 and the associated lock down has caused substantive disruption to the study and work of doctoral students and researchers in universities. The response to the pandemic has varied across universities and research funders.<br><br>SMaRteN and Vitae aim to develop a national picture for how doctoral researchers and research staff have been affected by the pandemic.<br><br>​The survey includes questions relating to the impact of COVID-19 on research work, mental wellbeing, social connection. We further address the impact of COVID-19 on changes to employment outside of academia, living arrangements and caring arrangements and the consequent effect of these changes on research work. The survey considers the support provided by supervisors / line managers and by universities. <br>Please note, Time 2 (follow up) data was collected, corresponding to this survey, in September / October 2020. This can be accessed via the link at the bottom of the page.<br>Data available here as either an SPSS or Excel download:SPSS file contains labels Excel file contains labels and brief notes about coding<br>Recoding data for CV19 impact - SPSS Syntax file describes steps taken to code data <br>CV19_impact_on_researchers - word document, export from Qualtrics of the survey. <br>Please note, data has been removed from this data set to ensure participant anonymity.<br>For further information, please contact Dr Nicola Byrom - nicola.byrom@kcl.ac.uk<br>
DOI: 10.25721/fexg-2r04
title: Improvisation en basque
DOI: 10.5281/zenodo.4724960
title: Learning-based OpenMP Performance Tuning Using Balanced Datasets

description: Dataset, and files related to its creation, uploaded to https://github.com/HPCA4SE-UAB/Building-a-dataset-for-classifying-OpenMP-parallelpatterns-via-Machine-Learning published at PDP with the title <em>Building representative and balanced datasets of OpenMP parallel regions</em> link: https://ieeexplore.ieee.org/document/9407037 New Dataset (ideal.7z) with new problem sizes and used to tune number of threads.