cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18419/darus-2154/21
title: 298_trofy_11_ben_15.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 15 Benzene molecules in water simulated at 298 K in .gro format.
DOI: 10.5281/zenodo.6319966
title: SuperDARN data in netCDF format (2017-Oct)

description: 2017-Oct SuperDARN radar data in netCDF format. These files were produced using versions 2.5 and 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.The RST is available here: https://github.com/SuperDARN/rstThe research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation. Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications. A brief statement on how to acknowledge use of SuperDARN data is provided below.Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication. A listing of radars and PIs with contact information can be found here: (SuperDARN Radar Overview)<strong>Recommended form of acknowledgement for the use of SuperDARN data:</strong>'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.5281/zenodo.6329114
title: SuperDARN data in netCDF format (2017-Sep)

description: 2017-Sep SuperDARN radar data in netCDF format. These files were produced using versions 2.5 and 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.The RST is available here: https://github.com/SuperDARN/rstThe research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation. Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications. A brief statement on how to acknowledge use of SuperDARN data is provided below.Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication. A listing of radars and PIs with contact information can be found here: (SuperDARN Radar Overview)<strong>Recommended form of acknowledgement for the use of SuperDARN data:</strong>'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.18419/darus-2154/22
title: 298_trofy_11_ben_15.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 15 Benzene molecules in water simulated at 298 K in .top format.
DOI: 10.5281/zenodo.6289077
title: SuperDARN data in netCDF format (2017-Nov)

description: 2017-Nov SuperDARN radar data in netCDF format. These files were produced using versions 2.5 and 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.The RST is available here: https://github.com/SuperDARN/rstThe research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation. Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications. A brief statement on how to acknowledge use of SuperDARN data is provided below.Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication. A listing of radars and PIs with contact information can be found here: (SuperDARN Radar Overview)<strong>Recommended form of acknowledgement for the use of SuperDARN data:</strong>'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.18419/darus-2154/23
title: 298_trofy_11_ben_20.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 298 K in .ndx format.
DOI: 10.18419/darus-2154/24
title: 298_trofy_11_ben_20.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 298 K in .gro format.
DOI: 10.18419/darus-2154/25
title: 298_trofy_11_ben_20.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 298 K in .top format.
DOI: 10.18419/darus-2154/26
title: 298_trofy_11_ben_25.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 25 Benzene molecules in water simulated at 298 K in .ndx format.
DOI: 10.18419/darus-2154/27
title: 298_trofy_11_ben_25.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 25 Benzene molecules in water simulated at 298 K in .gro format.
DOI: 10.5281/zenodo.6300959
title: SuperDARN data in netCDF format (2018-Apr)

description: 2018-Apr SuperDARN radar data in netCDF format. These files were produced using versions 2.5 and 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.The RST is available here: https://github.com/SuperDARN/rstThe research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation. Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications. A brief statement on how to acknowledge use of SuperDARN data is provided below.Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication. A listing of radars and PIs with contact information can be found here: (SuperDARN Radar Overview)<strong>Recommended form of acknowledgement for the use of SuperDARN data:</strong>'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.18419/darus-2154/28
title: 298_trofy_11_ben_25.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 25 Benzene molecules in water simulated at 298 K in .top format.
DOI: 10.5281/zenodo.6262975
title: SuperDARN data in netCDF format (2018-May)

description: 2018-May SuperDARN radar data in netCDF format. These files were produced using versions 2.5 and 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.The RST is available here: https://github.com/SuperDARN/rstThe research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation. Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications. A brief statement on how to acknowledge use of SuperDARN data is provided below.Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication. A listing of radars and PIs with contact information can be found here: (SuperDARN Radar Overview)<strong>Recommended form of acknowledgement for the use of SuperDARN data:</strong>'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.18419/darus-2154/29
title: 298_trofy_11_ben_30.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 298 K in .ndx format.
DOI: 10.18419/darus-2154/30
title: 298_trofy_11_ben_30.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 298 K in .gro format.
DOI: 10.5281/zenodo.6341962
title: Platanus orientalis decontaminated FSCR

description: .
DOI: 10.18419/darus-2154/31
title: 298_trofy_11_ben_30.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 298 K in .top format.
DOI: 10.18419/darus-2154/32
title: 350_huq_11_pnp_10.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 10 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
DOI: 10.5281/zenodo.6341961
title: Platanus orientalis decontaminated FSCR

description: .
DOI: 10.18419/darus-2154/33
title: 350_huq_11_pnp_10.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 10 p-nitrophenol molecules in water simulated at 350 K in .gro format.
DOI: 10.18419/darus-2154/34
title: 350_huq_11_pnp_10.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 10 p-nitrophenol molecules in water simulated at 350 K in .top format.
DOI: 10.18419/darus-2154/35
title: 350_huq_11_pnp_20.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
DOI: 10.18419/darus-2154/36
title: 350_huq_11_pnp_20.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .gro format.
DOI: 10.18419/darus-2154/37
title: 350_huq_11_pnp_20.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .top format.
DOI: 10.18419/darus-2154/38
title: 350_huq_11_pnp_30.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
DOI: 10.18419/darus-2154/39
title: 350_huq_11_pnp_30.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .gro format.
DOI: 10.18419/darus-2154/40
title: 350_huq_11_pnp_30.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .top format.
DOI: 10.18419/darus-2154/41
title: 350_trofy_11_ben_10.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .ndx format.
DOI: 10.5519/qd.9uwh2m6d
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1294 records)
DOI: 10.18419/darus-2154/42
title: 350_trofy_11_ben_10.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .gro format.
DOI: 10.18419/darus-2154/43
title: 350_trofy_11_ben_10.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .top format.
DOI: 10.18419/darus-2154/44
title: 350_trofy_11_ben_20.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .ndx format.
DOI: 10.18419/darus-2154/45
title: 350_trofy_11_ben_20.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .gro format.
DOI: 10.18419/darus-2154/46
title: 350_trofy_11_ben_20.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .top format.
DOI: 10.18419/darus-2154/47
title: 350_trofy_11_ben_30.ndx

description: Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 350 K in .ndx format.
DOI: 10.18419/darus-2154/48
title: 350_trofy_11_ben_30.gro

description: Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 350 K in .gro format.
DOI: 10.18419/darus-2154/49
title: 350_trofy_11_ben_30.top

description: Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 350 K in .top format.
DOI: 10.18419/darus-2154/50
title: 298_bcd_1_ben_1_colvar.txt

description: Plumed output file of a 1 mus simulation at 298 K with 1 beta-CD molecule and 1 benzene molecule in 1000 water molecules in txt format.
DOI: 10.18419/darus-2154/51
title: 298_bcd_1_pnp_1_colvar.txt

description: Plumed output file of a 1 mus simulation at 298 K with 1 beta-CD molecule and 1 p-nitrophenol molecule in 1000 water molecules in txt format.
DOI: 10.18419/darus-2154/52
title: 350_bcd_1_ben_1_colvar.txt

description: Plumed output file of a 1 mus simulation at 350 K with 1 beta-CD molecule and 1 benzene molecule in 1000 water molecules in txt format.
DOI: 10.18419/darus-2154/53
title: 350_bcd_1_pnp_1_colvar.txt

description: Plumed output file of a 1 mus simulation at 350 K with 1 beta-CD molecule and 1 p-nitrophenol molecule in 1000 water molecules in txt format.
DOI: 10.5519/qd.6h576lzs
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1330 records)
DOI: 10.18419/darus-2154/54
title: npt_unbiased.mdp

description: Simulation parameter file of the NpT equilibration step of the unbiased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/55
title: run_unbiased.mdp

description: Simulation parameter file of the NVT equilibration step of the unbiased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/56
title: min_unbiased.mdp

description: Simulation parameter file of the energy-minimization step of the unbiased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/57
title: run_pore.mdp

description: Simulation parameter file of the production step of the pore simulation in .mdp format.
DOI: 10.18419/darus-2154/58
title: run_biased.mdp

description: Simulation parameter file of the production step of the biased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/59
title: npt_biased.mdp

description: Simulation parameter file of the NpT equilibration step of the biased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/60
title: min_biased.mdp

description: Simulation parameter file of the energy-minimization step of the biased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/61
title: nvt_pore.mdp

description: Simulation parameter file of the NVT equilibration step of the pore simulation in .mdp format.
DOI: 10.18419/darus-2154/62
title: nvt_biased.mdp

description: Simulation parameter file of the NVT equilibration step of the biased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/63
title: min_pore.mdp

description: Simulation parameter file of the energy-minimization step of the pore simulation in .mdp format.
DOI: 10.18419/darus-2154/64
title: nvt_unbiased.mdp

description: Simulation parameter file of the NVT equilibration step of the unbiased free energy simulation in .mdp format.
DOI: 10.18419/darus-2154/65
title: acd_trofy.top

description: Topology file of an alpha-CD molecule with a Trofymchuk surface linker in .top format.
DOI: 10.18419/darus-2154/66
title: gcd_huq.top

description: Topology file of a gamma-CD molecule with a Huq surface linker in .top format.
DOI: 10.18419/darus-2154/67
title: tip3p.top

description: Topology file of a water molecule in .top format.
DOI: 10.18419/darus-2154/68
title: ben_1.top

description: Main topology file of the free energy simulation with 1 benzene molecule in 1000 water molecules in .top format.
DOI: 10.18419/darus-2154/69
title: nitrophenol.top

description: Topology file of a p-nitrophenol molecule in .top format.
DOI: 10.18419/darus-2154/70
title: bcd_trofy.top

description: Topology file of a beta-CD molecule with a Trofymchuk surface linker in .top format.
DOI: 10.5519/qd.vpr1cpvc
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (453 records)
DOI: 10.18419/darus-2154/71
title: pnp_1.top

description: Main topology file of the free energy simulation with 1 p-nitrophenol molecule in 1000 water molecules in .top format.
DOI: 10.18419/darus-2154/72
title: propylamine.top

description: Topology file of a propyl-amine surface molecule in .top format.
DOI: 10.18419/darus-2154/73
title: gcd_trofy.top

description: Topology file of a gamma-CD molecule with a Trofymchuk surface linker in .top format.
DOI: 10.18419/darus-2154/74
title: bcd.top

description: Topology file of a beta-CD molecule in .top format.
DOI: 10.5519/qd.edea6h9o
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1097 records)
DOI: 10.5519/qd.7vxt77kg
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1376 records)
DOI: 10.5519/qd.msul154a
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (797 records)
DOI: 10.5066/p9455d1k
title: Permafrost greenhouse gas and microbial data from the Alaska Peatland Experiment (APEX) 2017 to 2019

description: These data include permafrost gas concentration data from the Alaska Peatland Experiment at various depths, times, and locations
DOI: 10.6073/pasta/83ef6dccaec752834f18435019a2c806
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 10 meteorological station: 5-minute summary wind and air temperature data: 2013 - ongoing

description: This data package contains 5-minute air temperature and wind summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-10 met station. Average air temperature, wind speed, and wind direction are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. This is a subset of baseline weather data collected at the 15 Jornada Basin LTER CSIS study blocks, New Mexico. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. The met station variables measured include air temperature, precipitation, relative humidity, wind direction, wind speed. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.5281/zenodo.6341874
title: Bistatic HF Observations of CODAR Radars from CARL and MSR sites

description: 03-09-2022: More to written with a description of the data.
DOI: 10.6073/pasta/05a319d9527187116f84bb5a7e7b2488
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 10 meteorological station: 1-hour summary data: 2017 - ongoing

description: This data package contains hourly air temperature, relative humidity, wind speed, wind direction, and precipitation summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-10 met station. Air temperature, relative humidity, wind speed, wind direction, and precipitation are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.6084/m9.figshare.19330658
title: Data for "An Improved Practical Approach to Forecasting Exceptional Growth in Research"

description: Indicator data for 20,747 clusters from a global model of science. Two binary independent variables (X3, X4) denote which clusters achieved exceptional growth (minimum 8% annually) over three and four years with a forecast year of 2016. Eighty-one dependent variables (or indicators) are also included. Each has been standardized such that the value represents the number of standard deviations from the mean over all clusters. These values were subject to probit analysis in the accompanying paper (under submission at QSS) to determine which combination of indicators provides the best forecast of which cluster would achieve exceptional growth.
DOI: 10.6084/m9.figshare.19330658.v1
title: Data for "An Improved Practical Approach to Forecasting Exceptional Growth in Research"

description: Indicator data for 20,747 clusters from a global model of science. Two binary independent variables (X3, X4) denote which clusters achieved exceptional growth (minimum 8% annually) over three and four years with a forecast year of 2016. Eighty-one dependent variables (or indicators) are also included. Each has been standardized such that the value represents the number of standard deviations from the mean over all clusters. These values were subject to probit analysis in the accompanying paper (under submission at QSS) to determine which combination of indicators provides the best forecast of which cluster would achieve exceptional growth.