cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2142w5
title: CCDC 1880766: Experimental Crystal Structure Determination

description: Related Article: Talal F. Al-Azemi, Mickey Vinodh, Fatemeh H. Alipour, Abdirahman A. Mohamod|2019|RSC Advances|9|13814|doi:10.1039/C9RA02313E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.2662544
title: Qualitative analysis of the Best Possible Self intervention: underlying mechanisms that influence its efficacy.

description: This dataset contains the data regarding the qualitative analysis and quantitative data of 78 participants that enrolled in a study aimed at analyzing the role of the content of the essays of a positive psychology intervention on its efficacy to increase positive affect.
DOI: 10.5281/zenodo.2662545
title: Qualitative analysis of the Best Possible Self intervention: underlying mechanisms that influence its efficacy.

description: This dataset contains the data regarding the qualitative analysis and quantitative data of 78 participants that enrolled in a study aimed at analyzing the role of the content of the essays of a positive psychology intervention on its efficacy to increase positive affect.
DOI: 10.5517/ccdc.csd.cc2142x6
title: CCDC 1880767: Experimental Crystal Structure Determination

description: Related Article: Talal F. Al-Azemi, Mickey Vinodh, Fatemeh H. Alipour, Abdirahman A. Mohamod|2019|RSC Advances|9|13814|doi:10.1039/C9RA02313E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2142y7
title: CCDC 1880768: Experimental Crystal Structure Determination

description: Related Article: Talal F. Al-Azemi, Mickey Vinodh, Fatemeh H. Alipour, Abdirahman A. Mohamod|2019|RSC Advances|9|13814|doi:10.1039/C9RA02313E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2142z8
title: CCDC 1880769: Experimental Crystal Structure Determination

description: Related Article: Talal F. Al-Azemi, Mickey Vinodh, Fatemeh H. Alipour, Abdirahman A. Mohamod|2019|RSC Advances|9|13814|doi:10.1039/C9RA02313E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.2664330
title: Herwig7.1 Quark and Gluon Jets

description: Two datasets of quark and gluon jets generated with Herwig 7.1.4, one with all kinematically realizable quark jets and one that excludes charm and bottom quark jets (at the level of the hard process), analogous to this dataset of Pythia jets. Note that the two datasets in this record should not be combined. Generation parameters are listed below: Herwig 7.1.4, \(\sqrt{s}=14\,\text{TeV} \) Quarks from \(gq\to Z(\to\nu\bar\nu)q\), gluons from \(q\bar q\to Z(\to\nu\bar\nu)g\) FastJet 3.3.0, anti-kT jets with R=0.4 \(p_T^\text{jet}\in[500,550]\,\text{GeV},\,|y^\text{jet} |&lt;1.7\) There are 20 files in each dataset, each in compressed NumPy format. Files including charm and bottom jets have 'withbc' in their filename. There are two arrays in each file X: (100000,M,4), exactly 50k quark and 50k gluon jets, randomly sorted, where M is the max multiplicity of the jets in that file (other jets have been padded with zero-particles), and the features of each particle are its pt, rapidity, azimuthal angle, and pdgid. y: (100000,), an array of labels for the jets where gluon is 0 and quark is 1. If you use this dataset, please cite this Zenodo record and, optionally, the Pythia dataset which inspired it. The datasets can be downloaded and read into python automatically using the EnergyFlow Python package. Changes: v1 - Renamed files from v0 to include 'withbc' (events were also shuffled around), added files without b and c quark jets.
DOI: 10.5281/zenodo.2664331
title: Herwig7.1 Quark and Gluon Jets

description: A dataset of quark and gluon jets generated with Herwig 7.1, analogous to this dataset of Pythia jets. Generation parameters are listed below:


	Herwig 7.1.4, \(\sqrt{s}=14\,\text{TeV} \)
	Quarks from \(gq\to Z(\to\nu\bar\nu)q\), gluons from \(q\bar q\to Z(\to\nu\bar\nu)g\)
	FastJet 3.3.0, anti-ki jets with R=0.4
	\(p_T^\text{jet}\in[500,550]\,\text{GeV},\,|y^\text{jet} |&lt;1.7\)


Each file is in compressed NumPy format and can be accessed in python using np.load. There are two arrays in each file


	X: (100000,M,4), exactly 50k quark and 50k gluon jets, randomly sorted, where M is the max multiplicity of the jets in that file (other jets have been padded with zero-particles), and the features of each particle are its pt, rapidity, azimuthal angle, and pdgid.
	y: (100000,), an array of labels for the jets where gluon is 0 and quark is 1.


If you use this dataset, please cite this Zenodo record and, optionally, the Pythia dataset which inspired it. The format of the data is identical to that of the Pythia dataset and is additionally described as part of the EnergyFlow documentation.
DOI: 10.3886/e109607v1
title: Sport and School Climate

description: Participation in youth sport is widely recognized as a potential driver of positive youth development, however little research has examined the influence of social relationships developed during an after-school sports program as indicators of school climate. This research examines the association between student relationships with peers and coaches during after-school sports and perceptions of engagement and school environment. Students in grades 4-8 (n= 230) at a school in Arizona (U.S.) completed an online survey in the fall of 2018. Results indicated that feeling coaches care about players and feeling like part of a team were positively associated with increased reported engagement. Feeling like other students shared similar values during sport, feeling a sense of belonging, and feeling that coaches care were associated with positive perceptions of school environment. Participation in an after-school sports program has the potential to foster a positive school climate through the development of social relationships with peers and coaches.
DOI: 10.5281/zenodo.2658764
title: Pythia8 Quark and Gluon Jets for Energy Flow

description: A dataset of quark and gluon jets generated with Pythia 8, originally used in Energy Flow Networks: Deep Sets for Particle Jets and available through the EnergyFlow Python package. Generation parameters are listed below:


	Pythia 8.226, \(\sqrt{s}=14\,\text{TeV} \)
	Quarks (uds only) from WeakBosonAndParton:qg2gmZq, gluons from WeakBosonAndParton:qqbar2gmZg with the Z decaying to neutrinos
	FastJet 3.3.0, anti-ki jets with R=0.4
	\(p_T^\text{jet}\in[500,550]\,\text{GeV},\,|y^\text{jet} |&lt;1.7\)


Each file is in compressed NumPy format and can be accessed in python using np.load. There are two arrays in each file


	X: (100000,M,4), exactly 50k quark and 50k gluon jets, randomly sorted, where M is the max multiplicity of the jets in that file (other jets have been padded with zero-particles), and the features of each particle are its pt, rapidity, azimuthal angle, and pdgid.
	y: (100000,), an array of labels for the jets where gluon is 0 and quark is 1.


If you use this dataset, please cite this Zenodo record as well as the corresponding paper:


	P. T. Komiske, E. M. Metodiev, J. Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165.


The data format is additionally described as part of the EnergyFlow documentation. For the corresponding dataset of Herwig jets, see this Zenodo record.
description: {"references": ["P. T. Komiske, E. M. Metodiev, J. Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165.", "P. T. Komiske, E. M. Metodiev, EnergyFlow, https://energyflow.network."]}
DOI: 10.5281/zenodo.2658763
title: Pythia8 Quark and Gluon Jets for Energy Flow

description: Two datasets of quark and gluon jets generated with Pythia 8, one with all kinematically realizable quark jets and one that excludes charm and bottom quark jets (at the level of the hard process). The one without c and b jets was originally used in Energy Flow Networks: Deep Sets for Particle Jets. Generation parameters are listed below: Pythia 8.226 (without bc jets), Pythia 8.235 (with bc jets), \(\sqrt{s}=14\,\text{TeV} \) Quarks from WeakBosonAndParton:qg2gmZq, gluons from WeakBosonAndParton:qqbar2gmZg with the Z decaying to neutrinos FastJet 3.3.0, anti-ki jets with R=0.4 \(p_T^\text{jet}\in[500,550]\,\text{GeV},\,|y^\text{jet} |&lt;1.7\) There are 20 files in each dataset, each in compressed NumPy format. Files including charm and bottom jets have 'withbc' in their filename. There are two arrays in each file X: (100000,M,4), exactly 50k quark and 50k gluon jets, randomly sorted, where M is the max multiplicity of the jets in that file (other jets have been padded with zero-particles), and the features of each particle are its pt, rapidity, azimuthal angle, and pdgid. y: (100000,), an array of labels for the jets where gluon is 0 and quark is 1. If you use this dataset, please cite this Zenodo record as well as the corresponding paper: P. T. Komiske, E. M. Metodiev, J. Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165. For the corresponding dataset of Herwig jets, see this Zenodo record. The datasets can be downloaded and read into python automatically using the EnergyFlow Python package. Changes: v1 - Added files with b and c quark jets.
description: {"references": ["P. T. Komiske, E. M. Metodiev, J. Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165.", "P. T. Komiske, E. M. Metodiev, EnergyFlow, https://energyflow.network."]}
DOI: 10.5517/ccdc.csd.cc1jk1pt
title: CCDC 1416566: Experimental Crystal Structure Determination

description: Related Article: Mohammad Chahkandi, Moazzam H. Bhatti, Uzma Yunus, Muhammad Nadeem, Naima Rehman, Muhammad Nawaz Tahir|2019|J.Mol.Struct.|1191|225|doi:10.1016/j.molstruc.2019.04.088
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ltc2v
title: CCDC 1484127: Experimental Crystal Structure Determination

description: Related Article: Hakima Chenefa AitYoucef, Riadh Bourzami|2019|J.Mol.Struct.|1191|218|doi:10.1016/j.molstruc.2019.03.039
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.2611929
title: A Uniform Retrieval Analysis of Ultracool Dwarfs. III. Properties of Y Dwarfs

description: Posterior distributions for all model runs of <em>A Uniform Retrieval Analysis of Ultracool Dwarfs. III. Properties of Y-Dwarfs.</em>

To view, simply download the file and extract the tarball.

Directory structure is as follows:

<strong>/free_retrieval/</strong>: All posteriors here result from the model assumptions stated in Section 4.2.1 in the manuscript and were used for the analysis in Sections 4.3 as well.

<strong>/constrained_retrieval/</strong>: All posteriors here result from the model assumptions stated in Section 4.2.2 of the manuscript.

<strong>/additional_retrievals/2212-6931_kirkpatrick2012/</strong>: Shows the results for both the "free" and "constrained" model assumptions using a distance estimate from Kirkpatrick et al. (2012) as mentioned in Section 4.2.3 of the manuscript.

<strong>/grid_model_fits/:</strong>

Contains directories for each grid model ran against our targets. Targets are specified by the first 4 numbers (RA) of their WISE/ALLWISE name. The subname specifies the free parameters of the grid model were and are as follows:

_solar: Only Teff, log(g), radius, and log(Luminosity) are free parameters.

_met: Same as solar, but now the metallicity of the system is a free parameter.

_kzz: Same as solar, but now the eddy diffusion coefficient Kzz is also a free parameter.

_CO: Same as solar, but now the elemental Carbon/Oxygen ratio is a free parameter.

_full: All of the above are free parameters.
DOI: 10.5281/zenodo.2611930
title: A Uniform Retrieval Analysis of Ultracool Dwarfs. III. Properties of Y Dwarfs

description: Posterior distributions for all model runs of <em>A Uniform Retrieval Analysis of Ultracool Dwarfs. III. Properties of Y-Dwarfs.</em>

To view, simply download the file and extract the tarball.

Directory structure is as follows:

<strong>/free_retrieval/</strong>: All posteriors here result from the model assumptions stated in Section 4.2.1 in the manuscript and were used for the analysis in Sections 4.3 as well.

<strong>/constrained_retrieval/</strong>: All posteriors here result from the model assumptions stated in Section 4.2.2 of the manuscript.

<strong>/additional_retrievals/2212-6931_kirkpatrick2012/</strong>: Shows the results for both the "free" and "constrained" model assumptions using a distance estimate from Kirkpatrick et al. (2012) as mentioned in Section 4.2.3 of the manuscript.

<strong>/grid_model_fits/:</strong>

Contains directories for each grid model ran against our targets. Targets are specified by the first 4 numbers (RA) of their WISE/ALLWISE name. The subname specifies the free parameters of the grid model were and are as follows:

_solar: Only Teff, log(g), radius, and log(Luminosity) are free parameters.

_met: Same as solar, but now the metallicity of the system is a free parameter.

_kzz: Same as solar, but now the eddy diffusion coefficient Kzz is also a free parameter.

_CO: Same as solar, but now the elemental Carbon/Oxygen ratio is a free parameter.

_full: All of the above are free parameters.
DOI: 10.5281/zenodo.3956775
title: Simulations of DPPC/DOPC/CHOL 3/3/2 mixture using the model by Carpenter et al., Part 3

description: Simulations of 3/3/2 mixture of DPPC/DOPC/CHOL with the refined Martini model by Carpenter et al. Simulations are performed using a time step of 35 fs for 15 µs. The files are named 332_XX.YYY, where XX is either "sep" for simulations in which all lipid types are coupled separately to the thermostat, or "lincs", where different values for lincs_order (8 instead of standard 4) and lincs_iter (2 intead of standard 1) are used. YYY are GROMACS-compatible file formats: xtc for trajectory, edr for energy outputs, cpt for checkpoint file, tpr for run input file, and gro for final structure at the end of simulation. Additionally, files with _trr are included, which are 100 ns-long extensions to the aforementioned files. For them, a trr trajectory with velocities and coordinates is provided. The topology (topol.top) and index file (index.ndx) are common for all simulations, and the TOP.tar contains all the force field parameters (itp). The run input parameters (mdp) are provided for each system.
DOI: 10.5281/zenodo.3956774
title: Simulations of DPPC/DOPC/CHOL 3/3/2 mixture using the model by Carpenter et al., Part 3

description: Simulations of 3/3/2 mixture of DPPC/DOPC/CHOL with the refined Martini model by Carpenter et al. Simulations are performed using a time step of 35 fs for 15 µs. The files are named 332_XX.YYY, where XX is either "sep" for simulations in which all lipid types are coupled separately to the thermostat, or "lincs", where different values for lincs_order (8 instead of standard 4) and lincs_iter (2 intead of standard 1) are used. YYY are GROMACS-compatible file formats: xtc for trajectory, edr for energy outputs, cpt for checkpoint file, tpr for run input file, and gro for final structure at the end of simulation. Additionally, files with _trr are included, which are 100 ns-long extensions to the aforementioned files. For them, a trr trajectory with velocities and coordinates is provided. The topology (topol.top) and index file (index.ndx) are common for all simulations, and the TOP.tar contains all the force field parameters (itp). The run input parameters (mdp) are provided for each system.
DOI: 10.23721/109/1503778
title: internet_outage_adaptive_a35all-20190101 (2019-01-01 to 2019-04-01)

description: Combined reachability information for over 3.5M /24 subnets; this dataset is created by post-processing data from datasets internet_outage_adaptive_a35c-20190101 internet_outage_adaptive_a35e-20190101 internet_outage_adaptive_a35g-20190101 internet_outage_adaptive_a35j-20190101 internet_outage_adaptive_a35n-20190101 internet_outage_adaptive_a35w-20190101
DOI: 10.23721/109/1503779
title: internet_outage_adaptive_a35c-20190101 (2019-01-01 to 2019-04-01)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.
DOI: 10.23721/109/1503780
title: internet_outage_adaptive_a35e-20190101 (2019-01-01 to 2019-04-01)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.
DOI: 10.23721/109/1503781
title: internet_outage_adaptive_a35g-20190101 (2019-01-01 to 2019-04-01)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.
DOI: 10.23721/109/1503782
title: internet_outage_adaptive_a35j-20190101 (2019-01-01 to 2019-04-01)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.
DOI: 10.23721/109/1503783
title: internet_outage_adaptive_a35n-20190101 (2019-01-01 to 2019-04-01)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.
DOI: 10.23721/109/1503784
title: internet_outage_adaptive_a35w-20190101 (2019-01-01 to 2019-04-01)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.
DOI: 10.15785/sbgrid/468
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - D182A mutant, source of 5OI1 structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OI1 structure
DOI: 10.15785/sbgrid/470
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - E419A mutant, source of 5OIE structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OIE structure
DOI: 10.15785/sbgrid/481
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - E419A mutant in complex with glucosylglycerol, source of 5ONT structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5ONT structure
DOI: 10.15785/sbgrid/474
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - E419A mutant in complex with glucosylglycerate, source of 5OJU structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OJU structure
DOI: 10.15785/sbgrid/464
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase, source of 5OHC structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OHC structure
DOI: 10.15785/sbgrid/465
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - Se-Met derivative, source of 5OHZ structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OHZ structure - peak dataset
DOI: 10.15785/sbgrid/641
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase, source of 6Q5T structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 6Q5T structure
DOI: 10.15785/sbgrid/471
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - D43A mutant, source of 5OIV structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OIV structure
DOI: 10.15785/sbgrid/475
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - E419A mutant in complex with mannosylglycerate, source of 5OJV structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OJV structure
DOI: 10.15785/sbgrid/467
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase, source of 5OI0 structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OI0 structure
DOI: 10.15785/sbgrid/473
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - D182A mutant in complex with mannosylglycerate, source of 5OJ4 structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OJ4 structure
DOI: 10.15785/sbgrid/482
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - D182A mutant in complex with glucosylglycolate, source of 5ONZ structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5ONZ structure