cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.7081043
title: F-(H2O)2 minima obtained at HF and MP2 levels

description: F-(H2O)2 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7081043.v1
title: F-(H2O)2 minima obtained at HF and MP2 levels

description: F-(H2O)2 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7081046
title: F-(H2O)3 minima obtained at HF and MP2 levels

description: F-(H2O)3 optimized structures, obtained at the HF/6-31G* and MP2/6-311+G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/qonfdi
title: 358.png

description: :unav
DOI: 10.6084/m9.figshare.7081046.v1
title: F-(H2O)3 minima obtained at HF and MP2 levels

description: F-(H2O)3 optimized structures, obtained at the HF/6-31G* and MP2/6-311+G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/fctdnv
title: 602.png

description: :unav
DOI: 10.6084/m9.figshare.7081037
title: Crossref Works Dump - August 2018

description: An effort by eLife Sciences to make citation data more accessible.http://elifesciences.org/<br>This dump provides the raw Crossref works JSON responses as a bulk dump, downloaded in August 2018.<br>It was created by retrieving the works from Crossref API http://api.crossref.org/works (using a 1000 rows per page and a cursor).<br>The source code that produced the file can be found here:https://github.com/elifesciences/datacapsule-crossref<br>The output is a 35 GB zip file (using LZMA encryption) contains all of the Crossref raw response. In this case some manuscripts received updates during the download process and therefore will appear twice.<br>To uncompress the file you will need a tool that can handle LZMA (Python 3's zipfile can for example, so can 7zip).<br>The aforementioned project (datacapsule-crossref) also includes code that extracts information from JSON responses included in the zip.
DOI: 10.26165/juelich-data/tvwuup/tkkzhp
title: 223.png

description: :unav
DOI: 10.6084/m9.figshare.7081037.v1
title: Crossref Works Dump - August 2018

description: An effort by eLife Sciences to make citation data more accessible.http://elifesciences.org/<br>This dump provides the raw Crossref works JSON responses as a bulk dump, downloaded in August 2018.<br>It was created by retrieving the works from Crossref API http://api.crossref.org/works (using a 1000 rows per page and a cursor).<br>The source code that produced the file can be found here:https://github.com/elifesciences/datacapsule-crossref<br>The output is a 35 GB zip file (using LZMA encryption) contains all of the Crossref raw response. In this case some manuscripts received updates during the download process and therefore will appear twice.<br>To uncompress the file you will need a tool that can handle LZMA (Python 3's zipfile can for example, so can 7zip).<br>The aforementioned project (datacapsule-crossref) also includes code that extracts information from JSON responses included in the zip.
DOI: 10.26165/juelich-data/tvwuup/eooi0r
title: 014.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/2hxh2f
title: 352.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/yn55rr
title: 345.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/u6urrc
title: 349.png

description: :unav
DOI: 10.6084/m9.figshare.7080965
title: Replication or exploration? Sequential design for stochastic simulation experiments

description: We investigate the merits of replication, and provide methods for optimal design (including replicates), with the goal of obtaining globally accurate emulation of <i>noisy</i> computer simulation experiments. We first show that replication can be beneficial from both design and computational perspectives, in the context of Gaussian process surrogate modeling. We then develop a lookahead based sequential design scheme that can determine if a new run should be at an existing input location (i.e., replicate) or at a new one (explore). When paired with a newly developed heteroskedastic Gaussian process model, our dynamic design scheme facilitates learning of signal and noise relationships which can vary throughout the input space. We show that it does so efficiently, on both computational and statistical grounds. In addition to illustrative synthetic examples, we demonstrate performance on two challenging real-data simulation experiments, from inventory management and epidemiology.
DOI: 10.26165/juelich-data/tvwuup/wap9kp
title: 139.png

description: :unav
DOI: 10.6084/m9.figshare.7080965.v1
title: Replication or Exploration? Sequential Design for Stochastic Simulation Experiments

description: We investigate the merits of replication, and provide methods for optimal design (including replicates), with the goal of obtaining globally accurate emulation of <i>noisy</i> computer simulation experiments. We first show that replication can be beneficial from both design and computational perspectives, in the context of Gaussian process surrogate modeling. We then develop a lookahead-based sequential design scheme that can determine if a new run should be at an existing input location (i.e., replicate) or at a new one (explore). When paired with a newly developed heteroscedastic Gaussian process model, our dynamic design scheme facilitates learning of signal and noise relationships which can vary throughout the input space. We show that it does so efficiently, on both computational and statistical grounds. In addition to illustrative synthetic examples, we demonstrate performance on two challenging real-data simulation experiments, from inventory management and epidemiology. Supplementary materials for the article are available online.
DOI: 10.26165/juelich-data/tvwuup/kkne8p
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description: :unav
DOI: 10.26165/juelich-data/tvwuup/izss58
title: 390.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/ntlkom
title: 306.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/jkpyad
title: 439.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/pbluy7
title: 674.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/sejqjx
title: 148.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/o4wrfy
title: 586.png

description: :unav
DOI: 10.6084/m9.figshare.7080923
title: Evidence of canister contamination causing false positive detections in vapor intrusion investigation results

description: We have utilized the California GeoTracker database to evaluate field duplicate variability and the significance of sample contamination for groundwater and vapor samples collected from contaminated sites in California. Vapor duplicates are more variable than water duplicates with median percent difference in concentration of 25% compared to 7% for water samples. In addition, large differences in concentration were more common in vapor duplicates. For vapor analyte pairs, 20% of pairs had a percent difference in concentration of &gt;300% while, for groundwater analyte pairs, only 3% had a percent difference of &gt;300%. Contamination of samples during collection or analysis is also more significant for vapor samples. For water samples, sample contamination appears unlikely to result in false positive exceedances of drinking water standards; however, for vapor samples, sample contamination may result in false positive exceedances of indoor air screening values. For vapor samples, the use of reusable canisters and flow controllers is likely an important source of sample contamination.
DOI: 10.26165/juelich-data/tvwuup/ajerz6
title: 016.png

description: :unav
DOI: 10.6084/m9.figshare.7080923.v1
title: Evidence of canister contamination causing false positive detections in vapor intrusion investigation results

description: We have utilized the California GeoTracker database to evaluate field duplicate variability and the significance of sample contamination for groundwater and vapor samples collected from contaminated sites in California. Vapor duplicates are more variable than water duplicates with median percent difference in concentration of 25% compared to 7% for water samples. In addition, large differences in concentration were more common in vapor duplicates. For vapor analyte pairs, 20% of pairs had a percent difference in concentration of &gt;300% while, for groundwater analyte pairs, only 3% had a percent difference of &gt;300%. Contamination of samples during collection or analysis is also more significant for vapor samples. For water samples, sample contamination appears unlikely to result in false positive exceedances of drinking water standards; however, for vapor samples, sample contamination may result in false positive exceedances of indoor air screening values. For vapor samples, the use of reusable canisters and flow controllers is likely an important source of sample contamination.
DOI: 10.23641/asha.7080878
title: Normative data for spatial release from masking (Jakien & Gallun, 2018)

description: <b>Purpose: </b>The purpose of this study is to report normative data and predict thresholds for a rapid test of spatial release from masking for speech perception. The test is easily administered and has good repeatability, with the potential to be used in clinics and laboratories. Normative functions were generated for adults varying in age and amounts of hearing loss.<b>Method: </b>The test of spatial release presents a virtual auditory scene over headphones with 2 conditions: colocated (with target and maskers at 0°) and spatially separated (with target at 0° and maskers at ± 45°). Listener thresholds are determined as target-to-masker ratios, and spatial release from masking (SRM) is determined as the difference between the colocated condition and spatially separated condition.Multiple linear regression was used to fit the data from 82 adults 18–80 years of age with normal to moderate hearing loss (0–40 dB HL pure-tone average [PTA]). The regression equations were then used to generate normative functions that relate age (in years) and hearing thresholds (as PTA) to target-to-masker ratios and SRM.<b>Results: </b>Normative functions were able to predict thresholds with an error of less than 3.5 dB in all conditions. In the colocated condition, the function included only age as a predictive parameter, whereas in the spatially separated condition, both age and PTA were included as parameters. For SRM, PTA was the only significant predictor. Different functions were generated for the 1st run, the 2nd run, and the average of the 2 runs. All 3 functions were largely similar in form, with the smallest error being associated with the function on the basis of the average of 2 runs.<b>Conclusion: </b>With the normative functions generated from this data set, it would be possible for a researcher or clinician to interpret data from a small number of participants or even a single patient without having to first collect data from a control group, substantially reducing the time and resources needed.<br><b>Supplemental Material S1. </b>The full audiogram data for each participant, along with gender, hearing aid use, and calculated values of PTA and asymmetry across ears. <br>Jakien, K. M., & Gallun, F. J. (2018). Normative data for a rapid, automated test of spatial release from masking.<i> American Journal of Audiology, 27, </i>529–538. https://doi.org/10.1044/2018_AJA-17-0069
DOI: 10.26165/juelich-data/tvwuup/fou2hw
title: 552.png

description: :unav
DOI: 10.23641/asha.7080878.v1
title: Normative data for spatial release from masking (Jakien & Gallun, 2018)

description: <b>Purpose: </b>The purpose of this study is to report normative data and predict thresholds for a rapid test of spatial release from masking for speech perception. The test is easily administered and has good repeatability, with the potential to be used in clinics and laboratories. Normative functions were generated for adults varying in age and amounts of hearing loss.<b>Method: </b>The test of spatial release presents a virtual auditory scene over headphones with 2 conditions: colocated (with target and maskers at 0°) and spatially separated (with target at 0° and maskers at ± 45°). Listener thresholds are determined as target-to-masker ratios, and spatial release from masking (SRM) is determined as the difference between the colocated condition and spatially separated condition.Multiple linear regression was used to fit the data from 82 adults 18–80 years of age with normal to moderate hearing loss (0–40 dB HL pure-tone average [PTA]). The regression equations were then used to generate normative functions that relate age (in years) and hearing thresholds (as PTA) to target-to-masker ratios and SRM.<b>Results: </b>Normative functions were able to predict thresholds with an error of less than 3.5 dB in all conditions. In the colocated condition, the function included only age as a predictive parameter, whereas in the spatially separated condition, both age and PTA were included as parameters. For SRM, PTA was the only significant predictor. Different functions were generated for the 1st run, the 2nd run, and the average of the 2 runs. All 3 functions were largely similar in form, with the smallest error being associated with the function on the basis of the average of 2 runs.<b>Conclusion: </b>With the normative functions generated from this data set, it would be possible for a researcher or clinician to interpret data from a small number of participants or even a single patient without having to first collect data from a control group, substantially reducing the time and resources needed.<br><b>Supplemental Material S1. </b>The full audiogram data for each participant, along with gender, hearing aid use, and calculated values of PTA and asymmetry across ears. <br>Jakien, K. M., & Gallun, F. J. (2018). Normative data for a rapid, automated test of spatial release from masking.<i> American Journal of Audiology, 27, </i>529–538. https://doi.org/10.1044/2018_AJA-17-0069
DOI: 10.26165/juelich-data/tvwuup/lhdh5n
title: 187.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/yylla7
title: 369.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/gyn8sq
title: 156.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/poipwa
title: 422.png

description: :unav
DOI: 10.6084/m9.figshare.7078376
title: CO3(II)(H2O)10 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)10 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/hzdvve
title: 470.png

description: :unav
DOI: 10.6084/m9.figshare.7078370
title: CO3(II)(H2O)9 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)9 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078376.v1
title: CO3(II)(H2O)10 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)10 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/q9mvur
title: 463.png

description: :unav
DOI: 10.6084/m9.figshare.7078364
title: CO3(II)(H2O)7 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)7 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078367
title: CO3(II)(H2O)8 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)8 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078370.v1
title: CO3(II)(H2O)9 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)9 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078355
title: CO3(II)(H2O)5 minima obtained at HF and MP2 level

description: CO3(II)(H2O)5 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078358
title: CO3(II)(H2O)6 minima obtained at HF and MP2 level

description: CO3(II)(H2O)6 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078367.v1
title: CO3(II)(H2O)8 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)8 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/mioks9
title: 460.png

description: :unav
DOI: 10.6084/m9.figshare.7078355.v1
title: CO3(II)(H2O)5 minima obtained at HF and MP2 level

description: CO3(II)(H2O)5 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078358.v1
title: CO3(II)(H2O)6 minima obtained at HF and MP2 level

description: CO3(II)(H2O)6 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/tctjka
title: 540.png

description: :unav
DOI: 10.6084/m9.figshare.7078346
title: CO3(II)(H2O)3 minima obtained at HF and MP2 level

description: CO3(II)(H2O)3 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078346.v1
title: CO3(II)(H2O)3 minima obtained at HF and MP2 level

description: CO3(II)(H2O)3 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078352
title: CO3(II)(H2O)4 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)4 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078352.v1
title: CO3(II)(H2O)4 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)4 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/zxel27
title: 642.png

description: :unav
DOI: 10.6084/m9.figshare.7078343
title: CO3(II)(H2O)2 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)2 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7078343.v1
title: CO3(II)(H2O)2 minima obtained at HF and MP2 levels

description: CO3(II)(H2O)2 optimized structures, obtained at the HF/6-31G* and MP2/6-311++G** levels. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/l1gtrv
title: 157.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/2svagk
title: 366.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/fkkbsr
title: 573.png

description: :unav
DOI: 10.6084/m9.figshare.7078274
title: QoS of 25 selected service from wsdream dataset

description: This dataset contain QoS vales of 25 selected web service from wsdream dataset<br>
DOI: 10.6084/m9.figshare.7078280
title: Seedling browse tolerance

description: Seedlings experienced one of two herbivory treatments (75% of new growth removed, 25% of new growth removed), after receiving one of three 24-hour experimental extreme cold treatments (8 C control, -8 C, -16 C). Seedling growth and survival were monitored in a greenhouse.
DOI: 10.26165/juelich-data/tvwuup/evy8nw
title: 288.png

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DOI: 10.26165/juelich-data/tvwuup/pwfhiw
title: 237.png

description: :unav
DOI: 10.6084/m9.figshare.7078232
title: Seedling survival and growth

description: Seedlings experienced one of three 24-hour experimental extreme cold treatments (8 C control, -8 C, -16 C). Seedling growth and survival were monitored in a greenhouse.
DOI: 10.26165/juelich-data/tvwuup/zfhlcf
title: 250.png

description: :unav
DOI: 10.6084/m9.figshare.7078253
title: .csv files for statistical analysis in MetaboAnalyst

description: These are .csv files for statistical analysis in MetaboAnalyst.
DOI: 10.26165/juelich-data/tvwuup/czp4sj
title: 421.png

description: :unav
DOI: 10.6084/m9.figshare.7078232.v2
title: Seedling survival and growth

description: Seedlings experienced one of three 24-hour experimental extreme cold treatments (8 C control, -8 C, -16 C). Seedling growth and survival were monitored in a greenhouse.
DOI: 10.26165/juelich-data/tvwuup/gve8in
title: 537.png

description: :unav
DOI: 10.6084/m9.figshare.7078232.v1
title: Seedling responses to extreme cold

description: Seedling survival and growth after experiencing an experimental late-winter frost event
DOI: 10.6084/m9.figshare.7078253.v1
title: .csv files for statistical analysis in MetaboAnalyst

description: These are .csv files for statistical analysis in MetaboAnalyst.
DOI: 10.26165/juelich-data/tvwuup/sa0per
title: 505.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/gawxm8
title: 648.png

description: :unav
DOI: 10.6084/m9.figshare.7078223
title: Large-scale agricultural investments trigger direct and indirect land use change: New evidence from the Nacala corridor, Mozambique

description: The Nacala corridor in Mozambique is one of the main host regions for large-scale agricultural investments (LAIs) in Africa. LAI companies produce crops for export, with scarcely known impacts on small-scale farmers and the environment. We conducted 101 interviews with small-scale farmers living near an LAI to elicit their perceptions of the LAI’s impacts on their own land use and the environment. Additionally, we used remote sensing to assess land use change between 2000 and 2015 in two study areas in Guruè and Monapo districts. The results show that LAIs caused deforestation both directly and indirectly. The main environmental impact perceived by farmers was that LAIs had blocked their access to rivers. Positive spillovers did occur, but could not compensate for the negative impacts experienced. A peaceful coexistence of LAIs and small-scale farmers in the Nacala corridor is only possible if existing injustices around the occupation of land are resolved.
DOI: 10.26165/juelich-data/tvwuup/fm2cka
title: 557.png

description: :unav
DOI: 10.6084/m9.figshare.7078223.v1
title: Large-scale agricultural investments trigger direct and indirect land use change: New evidence from the Nacala corridor, Mozambique

description: The Nacala corridor in Mozambique is one of the main host regions for large-scale agricultural investments (LAIs) in Africa. LAI companies produce crops for export, with scarcely known impacts on small-scale farmers and the environment. We conducted 101 interviews with small-scale farmers living near an LAI to elicit their perceptions of the LAI’s impacts on their own land use and the environment. Additionally, we used remote sensing to assess land use change between 2000 and 2015 in two study areas in Guruè and Monapo districts. The results show that LAIs caused deforestation both directly and indirectly. The main environmental impact perceived by farmers was that LAIs had blocked their access to rivers. Positive spillovers did occur, but could not compensate for the negative impacts experienced. A peaceful coexistence of LAIs and small-scale farmers in the Nacala corridor is only possible if existing injustices around the occupation of land are resolved.
DOI: 10.26165/juelich-data/tvwuup/b1zyig
title: 263.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/hvvxhk
title: 072.png

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DOI: 10.6084/m9.figshare.7078217
title: Whole body of Megachirella (STL file)

description: STL file of the whole body of Megachirella
DOI: 10.26165/juelich-data/tvwuup/kdzb1s
title: 078.png

description: :unav
DOI: 10.6084/m9.figshare.7078217.v1
title: Whole body of Megachirella (STL file)

description: STL file of the whole body of Megachirella
DOI: 10.26165/juelich-data/tvwuup/vkbzem
title: 226.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/nwqutd
title: 403.png

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DOI: 10.26165/juelich-data/tvwuup/7y8l5e
title: 590.png

description: :unav