cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc261x28
title: CCDC 2027619: Experimental Crystal Structure Determination

description: Related Article: Ivan V. Basalov, Alexander A. Kissel, Elena N. Nikolaevskaya, Nikolai O. Druzhkov, Anton V. Cherkasov, Jérôme Long, Joulia Larionova, Georgy K. Fukin, Alexander A. Trifonov|2022|Dalton Trans.|51|1995|doi:10.1039/D1DT04139H
DOI: 10.5517/ccdc.csd.cc261x39
title: CCDC 2027620: Experimental Crystal Structure Determination

description: Related Article: Ivan V. Basalov, Alexander A. Kissel, Elena N. Nikolaevskaya, Nikolai O. Druzhkov, Anton V. Cherkasov, Jérôme Long, Joulia Larionova, Georgy K. Fukin, Alexander A. Trifonov|2022|Dalton Trans.|51|1995|doi:10.1039/D1DT04139H
DOI: 10.5517/ccdc.csd.cc261x4b
title: CCDC 2027621: Experimental Crystal Structure Determination

description: Related Article: Ivan V. Basalov, Alexander A. Kissel, Elena N. Nikolaevskaya, Nikolai O. Druzhkov, Anton V. Cherkasov, Jérôme Long, Joulia Larionova, Georgy K. Fukin, Alexander A. Trifonov|2022|Dalton Trans.|51|1995|doi:10.1039/D1DT04139H
DOI: 10.5517/ccdc.csd.cc261x5c
title: CCDC 2027622: Experimental Crystal Structure Determination

description: Related Article: Ivan V. Basalov, Alexander A. Kissel, Elena N. Nikolaevskaya, Nikolai O. Druzhkov, Anton V. Cherkasov, Jérôme Long, Joulia Larionova, Georgy K. Fukin, Alexander A. Trifonov|2022|Dalton Trans.|51|1995|doi:10.1039/D1DT04139H
DOI: 10.5517/ccdc.csd.cc28jm0g
title: CCDC 2101335: Experimental Crystal Structure Determination

description: Related Article: Nikolia Lalioti, Vassilis Nastopoulos, Nikos Panagiotou, Anastasios Tasiopoulos, Nikolaos Ioannidis, Joris van Slageren, Peng Zhang, Gopalan Rajaraman, Abinash Swain, Vassilis Tangoulis|2022|Dalton Trans.|51|1985|doi:10.1039/D1DT04089H
DOI: 10.5517/ccdc.csd.cc28jm1h
title: CCDC 2101336: Experimental Crystal Structure Determination

description: Related Article: Nikolia Lalioti, Vassilis Nastopoulos, Nikos Panagiotou, Anastasios Tasiopoulos, Nikolaos Ioannidis, Joris van Slageren, Peng Zhang, Gopalan Rajaraman, Abinash Swain, Vassilis Tangoulis|2022|Dalton Trans.|51|1985|doi:10.1039/D1DT04089H
DOI: 10.5281/zenodo.6063018
title: Arius augustus RB0475 SPAdes preassembly

description: .
DOI: 10.5281/zenodo.6063017
title: Arius augustus RB0475 SPAdes preassembly

description: .
DOI: 10.5281/zenodo.6063905
title: ariercole/UNITE-COVID: Version 3.1.0 release curation pipeline

description: Release of ESICM UNITE-COVID data curation pipeline and data dictionary after main analysis completed.
DOI: 10.5281/zenodo.4662577
title: ariercole/UNITE-COVID: Version 3.1.0 release curation pipeline

description: Release of ESICM UNITE-COVID data curation pipeline and data dictionary after main analysis completed.
DOI: 10.34740/kaggle/dsv/3180348
title: ECB speeches etc. 1997 to 2022-01-02
DOI: 10.5281/zenodo.5886672
title: Catalogues for 2021 zoonoses data reporting

description: The EFSA catalogues applied for the 2021 zoonoses data reporting are made available in Excel format for easier use and reference.
description: EU; XLSX; zoonoses_support@efsa.europa.eu
DOI: 10.12751/g-node.1sa2r5
title: Dataset of high-density and screw EEG recordings under chronic sleep restriction in mice

description: A set of screw and high-density EEG data obtained from freely-moving mice (mus musculus). Details of experimental method are described in the original research article using the same dataset [Kim et al., 2017, PNAS].
description: IsSupplementTo: Kim et al. (2017) Differential modulation of global and local neural oscillations in REM sleep by homeostatic sleep regulation. PNAS 114(9):E1727-E1736 (https://doi.org/10.1073/pnas.1615230114)
description: IsSupplementTo: Kim et al. (2020) Differential modulation of NREM sleep regulation and EEG topography by chronic sleep restriction in mice. Scientific Reports 10:18 (https://doi.org/10.1038/s41598-019-54790-y)
description: IsSupplementTo: Hwang et al. (2020) High-density EEG of auditory steady-state responses during stimulation of basal forebrain parvalbumin neurons. Scientific Data 7:288 (https://doi.org/10.1038/s41597-020-00621-z)
DOI: 10.12751/g-node.mvi0dp
title: Dataset of high-density and screw EEG recordings under chronic sleep restriction in mice

description: A set of screw and high-density EEG data obtained from freely-moving mice (mus musculus). Details of experimental method are described in the original research article using the same dataset [Kim et al., 2017, PNAS].
description: IsSupplementTo: Kim, B., Kocsis, B., Hwang, E., Kim, Y., Strecker, R. E., McCarley, R. W., & Choi, J. H. (2017). Differential modulation of global and local neural oscillations in REM sleep by homeostatic sleep regulation. Proceedings of the National Academy of Sciences, 114(9), E1727-E1736. (https://doi.org/10.1073/pnas.1615230114)
description: IsSupplementTo: Kim, B., Hwang, E., Strecker, R. E., Choi, J. H., & Kim, Y. (2020). Differential modulation of NREM sleep regulation and EEG topography by chronic sleep restriction in mice. Scientific reports, 10(1), 1-13. (https://doi.org/10.1038/s41598-019-54790-y)
description: IsSupplementTo: Hwang, E., Han, H. B., Kim, J. Y., & Choi, J. H. (2020). High-density EEG of auditory steady-state responses during stimulation of basal forebrain parvalbumin neurons. Scientific Data, 7(1), 1-9. (https://doi.org/10.1038/s41597-020-00621-z)
DOI: 10.5281/zenodo.6064931
title: Pd-exchanged BEA and CHA

description: The data set contains: Nuclear repulsion energy: xyz coordinates of CHA and BEA energies given in json file (CHA-NRE.json and BEA-NRE.jon) Structures: xyz coordinates of the DFT optimized structures of either Pd-exchanged zeolite (CHA or BEA) or proton compensating zeolite (also CHA and BEA) xyz coordinates are given for the full QM/MM atom and the QM atoms energy.json: the calculated DFT energy of the optimized structures qm_region: xyz coordinates of the optimized DFT structures at different number of atoms in the QM region data are given for both the full QM/MM atoms and the QM atoms gas_traj: xyz coordinates of the optimized DFT structures of various adsorbates on Pd-exchanged CHA The nomenclature used to tabulate the data is as follow: zeolite name (CHA or BEA) - a number representing structure with a unique Al arrangement - adsorbate name (Pd+2, Pd+H+, Pd+, H+ or H+H+) - a number representing an initial position of the adsorbate - level of theory (GGA or hGGA) - type of calculations (opt for optimization and sp for single point calculation).
DOI: 10.5281/zenodo.6064930
title: Pd-exchanged BEA and CHA

description: The data set contains: Nuclear repulsion energy: xyz coordinates of CHA and BEA energies given in json file (CHA-NRE.json and BEA-NRE.jon) Structures: xyz coordinates of the DFT optimized structures of either Pd-exchanged zeolite (CHA or BEA) or proton compensating zeolite (also CHA and BEA) xyz coordinates are given for the full QM/MM atom and the QM atoms energy.json: the calculated DFT energy of the optimized structures qm_region: xyz coordinates of the optimized DFT structures at different number of atoms in the QM region data are given for both the full QM/MM atoms and the QM atoms gas_traj: xyz coordinates of the optimized DFT structures of various adsorbates on Pd-exchanged CHA The nomenclature used to tabulate the data is as follow: zeolite name (CHA or BEA) - a number representing structure with a unique Al arrangement - adsorbate name (Pd+2, Pd+H+, Pd+, H+ or H+H+) - a number representing an initial position of the adsorbate - level of theory (GGA or hGGA) - type of calculations (opt for optimization and sp for single point calculation).
DOI: 10.6084/m9.figshare.807696
title: Nematostella vectensis transcriptome and gene models v2.0

description: The gene models, transcripts and other derived data were generated from a comprehensive transcriptome survey of samples taken from five embryonic stages, adult female, and adult male samples. In total 1.6 billion 76-100 bp pair-end reads were obtained. The reads were mapped onto the N. vectensis genome v1.0, and new gene models were constructed using the RNA-seq evidence with the Augustus gene caller. These RNA-seq evidence based gene models are identified by a NVE prefix.
DOI: 10.6084/m9.figshare.807696.v2
title: Nematostella vectensis transcriptome and gene models v2.0

description: The gene models, transcripts and other derived data were generated from a comprehensive transcriptome survey of samples taken from five embryonic stages, adult female, and adult male samples. In total 1.6 billion 76-100 bp pair-end reads were obtained. The reads were mapped onto the N. vectensis genome v1.0, and new gene models were constructed using the RNA-seq evidence with the Augustus gene caller. These RNA-seq evidence based gene models are identified by a NVE prefix.
DOI: 10.6084/m9.figshare.19166132
title: Kuznetcova et al - Game-based intervention and visuospatial self-efficacy in middle school students - anonymized dataset.xlsx

description: This data is part of the project on using a game-based intervention to improve visuospatial self-efficacy in middle school students. It was collected in late 2019 in 3 Midwestern schools in the USA.<br>
DOI: 10.26009/s0fd85i6
title: River avulsions and stratigraphy for an experimental lowland delta subjected to sea-level changes

description: These data are presented in the manuscript "Effect of Sea-level Change on River Avulsions and Stratigraphy for an Experimental Lowland Delta" by Austin Chadwick, Sarah Steele, Jose Silvestre, and Michael Lamb submitted to Journal of Geophysical Research: Earth Surface.
DOI: 10.5281/zenodo.6064586
title: Training data for benchtop NMR and UV/vis spectroscopy for Artificial Neural Networks

description: Data set of low-field NMR spectra and UV/vis spectra for the synthesis of mesalazine intermediates, which were used as training or validation data for data processing with artificial neural networks development <strong>Low-field NMR spectra for the nitration step:</strong> The pure component spectrum of 2ClBA, 3N-2ClBA, and 5N-2ClBA are marked as NMR_pure_spectrum. The concentration levels for 2ClBA, 3N-2ClBA and 5N-2ClBA are in row 1, 2, and 3, respectively. The data sets marked as NMR_ represents low-field NMR-spectra recorded. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively. <strong>Datafusion data sets for the hydrolysis and nitration step</strong> The NMR data are either recorded or simulated from the pure NMR spectrum of each individual component. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are either assigned with UHPLC measurements or calculated from the prepared solutions. The NMR spectra are depicted in datafusion_NMR_training. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively. The UV/vis spectra are depicted in datafusion_UVvis_training. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are in column 1, 2, 3, 4, and 5, respectively. <strong>Process data</strong> The NMR spectra for the stability run and the run with dynamic changes are depicted in process_NMR_. The first column is the time stamp. The UV/vis spectra for the stability run and the run with dynamic changes are depicted in process_UV_. The first column is the time stamp.
DOI: 10.6084/m9.figshare.17307074.v4
title: Prevalence of Depressive Symptoms in Patients with Chronic Physical Illness: A single institutional cross-sectional study from Nepal

description: files contains questionnaire and consent form<br> <br><br>
DOI: 10.5281/zenodo.4541602
title: Rapid Recombination by Cadmium Vacancies in CdTe

description: CdTe is a key thin-film photovoltaic technology. Non-radiative electron-hole recombination reduces the solar conversion efficiency from an ideal value of 32% to a current champion performance of 22%. The cadmium vacancy (V<sub>Cd</sub>) is a prominent acceptor species in p-type CdTe; however, debate continues regarding its structural and electronic behavior. Using ab initio defect techniques, we calculate a negative-U double-acceptor level for V<sub>Cd</sub>, while reproducing the V<sub>Cd</sub><sup>-1</sup> hole-polaron, reconciling theoretical predictions with experimental observations. We find the cadmium vacancy facilitates rapid charge-carrier recombination, reducing maximum power-conversion efficiency by over 5% for untreated CdTe --- a consequence of tellurium dimerization, metastable structural arrangements, and anharmonic potential energy surfaces for carrier capture. Open-access ACS Energy Letters article here.
DOI: 10.5281/zenodo.4541601
title: Rapid Recombination by Cadmium Vacancies in CdTe

description: CdTe is a key thin-film photovoltaic technology. Non-radiative electron-hole recombination reduces the solar conversion efficiency from an ideal value of 32% to a current champion performance of 22%. The cadmium vacancy (V<sub>Cd</sub>) is a prominent acceptor species in p-type CdTe; however, debate continues regarding its structural and electronic behavior. Using ab initio defect techniques, we calculate a negative-U double-acceptor level for V<sub>Cd</sub>, while reproducing the V<sub>Cd</sub><sup>-1</sup> hole-polaron, reconciling theoretical predictions with experimental observations. We find the cadmium vacancy facilitates rapid charge-carrier recombination, reducing maximum power-conversion efficiency by over 5% for untreated CdTe --- a consequence of tellurium dimerization, metastable structural arrangements, and anharmonic potential energy surfaces for carrier capture. Open-access ACS Energy Letters article here.
DOI: 10.5281/zenodo.6066166
title: Training data for benchtop NMR and UV/vis spectroscopy for Artificial Neural Networks

description: Data set of low-field NMR spectra and UV/vis spectra for the synthesis of mesalazine intermediates, which were used as training or validation data for data processing with artificial neural networks development <strong>Low-field NMR spectra for the nitration step:</strong> The pure component spectrum of 2ClBA, 3N-2ClBA, and 5N-2ClBA are marked as NMR_pure_spectrum. The concentration levels for 2ClBA, 3N-2ClBA and 5N-2ClBA are in row 1, 2, and 3, respectively. The data sets marked as NMR_ represents low-field NMR-spectra recorded. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively. <strong>Datafusion data sets for the hydrolysis and nitration step</strong> The NMR data are either recorded or simulated from the pure NMR spectrum of each individual component. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are either assigned with UHPLC measurements or calculated from the prepared solutions. The NMR spectra are depicted in datafusion_NMR_training. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively. The UV/vis spectra are depicted in datafusion_UVvis_training. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are in column 1, 2, 3, 4, and 5, respectively. <strong>Process data</strong> The NMR spectra for the stability run and the run with dynamic changes are depicted in process_NMR_. The first column is the time stamp. The UV/vis spectra for the stability run and the run with dynamic changes are depicted in process_UV_. The first column is the time stamp.
DOI: 10.5281/zenodo.6064585
title: Training data for benchtop NMR and UV/vis spectroscopy for Artificial Neural Networks

description: Data set of low-field NMR spectra and UV/vis spectra for the synthesis of mesalazine intermediates, which were used as training or validation data for data processing with artificial neural networks development <strong>Low-field NMR spectra for the nitration step:</strong> The pure component spectrum of 2ClBA, 3N-2ClBA, and 5N-2ClBA are marked as NMR_pure_spectrum. The concentration levels for 2ClBA, 3N-2ClBA and 5N-2ClBA are in row 1, 2, and 3, respectively. The data sets marked as NMR_ represents low-field NMR-spectra recorded. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively. <strong>Datafusion data sets for the hydrolysis and nitration step</strong> The NMR data are either recorded or simulated from the pure NMR spectrum of each individual component. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are either assigned with UHPLC measurements or calculated from the prepared solutions. The NMR spectra are depicted in datafusion_NMR_training. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively. The UV/vis spectra are depicted in datafusion_UVvis_training. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are in column 1, 2, 3, 4, and 5, respectively. <strong>Process data</strong> The NMR spectra for the stability run and the run with dynamic changes are depicted in process_NMR_. The first column is the time stamp. The UV/vis spectra for the stability run and the run with dynamic changes are depicted in process_UV_. The first column is the time stamp.
DOI: 10.5281/zenodo.6066172
title: Replication package for A Risk-based Theory of Exchange Rate Stabilization

description: The package contains the code necessary to reproduce Table 1, Figure 1, and Table 2 in the Online Appendix in Hassan, Mertens and Zhang (forthcoming) "A Risk-based Theory of Exchange Rate Stabilization." Review of EConomic Studies.
DOI: 10.5517/ccdc.csd.cc2b4q18
title: CCDC 2149479: Experimental Crystal Structure Determination

description: Related Article: N. Moussa Slimane, N. Benarous, H. Bougueria, A. Cherouana|2022|IUCrData|7|x220112|doi:10.1107/S2414314622001122
DOI: 10.5517/ccdc.csd.cc2b4vr3
title: CCDC 2149625: Experimental Crystal Structure Determination

description: Related Article: Hu Huancheng|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b4z2k
title: CCDC 2149728: Experimental Crystal Structure Determination

description: Related Article: Viktoria Gramakov, Michael Bolte|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b4zdw
title: CCDC 2149738: Experimental Crystal Structure Determination

description: Related Article: Russell M. Main, David B. Cordes, Russell E. Morris|2022|CSD Communication|||
DOI: 10.25400/lincolnuninz.19105445
title: Decibel readings of extractor fan operating in Ivey Hall

description: A large extractor fan in the library at Lincoln University can be used to improve the building's ventilation, however it is noisy and prone to startling staff and students. On the 2nd February 2022 (while few students were in the building) a group of library staff took decibel readings at different locations in the library to identify the quieter and noisier areas.<br>"Decibel raw readings" file: Each staff member filled out one groundplan on either level 0 (ground floor), level 1, or level 2. Most staff used the "Sound Meter" app by Splend Apps on a personal Android cellphone but one staff member used an app on an iPhone. A few "normal"/"silent" measurements were taken before the fans were turned on for comparison purposes, however in term time some of these areas may be noisier with study group conversations.<br>"Decibel summary" file: The raw readings were summarised on a set of floorplans to act as a visual guide to students, erring towards higher readings if there was disagreement. The key is on the first page with each colour indicating a 10dB range. Stripes indicate readings with some uncertainty on the border between bands.<br>
DOI: 10.25400/lincolnuninz.19105445.v1
title: Decibel readings of extractor fan operating in Ivey Hall

description: A large extractor fan in the library at Lincoln University can be used to improve the building's ventilation, however it is noisy and prone to startling staff and students. On the 2nd February 2022 (while few students were in the building) a group of library staff took decibel readings at different locations in the library to identify the quieter and noisier areas.<br>"Decibel raw readings" file: Each staff member filled out one groundplan on either level 0 (ground floor), level 1, or level 2. Most staff used the "Sound Meter" app by Splend Apps on a personal Android cellphone but one staff member used an app on an iPhone. A few "normal"/"silent" measurements were taken before the fans were turned on for comparison purposes, however in term time some of these areas may be noisier with study group conversations.<br>"Decibel summary" file: The raw readings were summarised on a set of floorplans to act as a visual guide to students, erring towards higher readings if there was disagreement. The key is on the first page with each colour indicating a 10dB range. Stripes indicate readings with some uncertainty on the border between bands.<br>
DOI: 10.34740/kaggle/dsv/3180718
title: Omicron daily cases by country (COVID-19 variant)
DOI: 10.5281/zenodo.6066154
title: Mothra training data

description: Training data related to the mothra project.
DOI: 10.5517/ccdc.csd.cc2b50n6
title: CCDC 2149777: Experimental Crystal Structure Determination

description: Related Article: Frank R. Fronczek|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b53c0
title: CCDC 2149861: Experimental Crystal Structure Determination

description: Related Article: Thorsten Dreier, Roland Fröhlich, Constantin G. Daniliuc, Gerhard Erker|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b5btp
title: CCDC 2150092: Experimental Crystal Structure Determination

description: Related Article: Viktoria Gramakov, Michael Bolte|2022|CSD Communication|||
DOI: 10.6084/m9.figshare.3761562.v2128
title: Online Labour Index: Measuring the Online Gig Economy for Policy and Research

description: Data repository for the data underlying the Online Labour Index. See http://ilabour.oii.ox.ac.uk online-labour-index/ for details.
DOI: 10.5281/zenodo.5793685
title: Joint Communication and Sensing: a Proof of Concept and Datasets for Greenhouse Monitoring using LoRaWAN

description: The goal of these LoRaWAN based greenhouse monitoring datasets, is to provide the global research community with a benchmark tool to evaluate different techniques for precision agriculture in large greenhouse environments. An identical collection methodology was used for both of the two datasets over the same tomato crop: during a period of five months, respectively. Together with temperature and humidity values, network information such as receiving time of the message and Received Signal Strength Indicator (RSSI) were stored in the greenhouse monitoring datasets: <strong>Greenhouse-1.csv</strong> Data from 27 sensors denoted as AF 16-42 with an average of 19687 LoRaWAN messages per sensor from April till August 2020, obtained in the greenhouse for tomato crop in Belgium. <strong>Greenhouse-2.csv</strong> Data from 19 sensors denoted as AF 49-67 with an average of 19009 LoRaWAN messages per sensor from July till November 2020, obtained in the other greenhouse for tomato crop in the Netherlands. <strong>Greenhouse-1-Transformed-Data.csv</strong> Mean temperature, humidity, and RSSI values along with plant height for the same period. Both the greenhouses, had no LoRaWAN connectivity, so individual gateway were installed for both locations. For Greenhouse-1 data, sensors were switched on in a room on 10<sup>th</sup> of April and brought to the greenhouse chamber on 17<sup>th</sup> April at 06:38 am for sensing. It would be crucial to accordingly use data set, considering the above time period. The collection methodology of datasets, and first results of a joint communication and sensing proof-of-concept are documented in the journal paper : https://www.mdpi.com/1424-8220/22/4/1326.
description: LoRaWAN based greenhouse monitoring datasets.