cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2bpxfd
title: CCDC 2166014: Experimental Crystal Structure Determination

description: Related Article: Jiaquan Li, Yangjia Huang, Qi An, Wenyu Li, Jianting Li, Hongji Liu, Dezhi Yang, Yang Lu, Zhengzheng Zhou|2022|Int.J.Pharm.|628|122310|doi:10.1016/j.ijpharm.2022.122310
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.cc2bpxgf
title: CCDC 2166015: Experimental Crystal Structure Determination

description: Related Article: Jiaquan Li, Yangjia Huang, Qi An, Wenyu Li, Jianting Li, Hongji Liu, Dezhi Yang, Yang Lu, Zhengzheng Zhou|2022|Int.J.Pharm.|628|122310|doi:10.1016/j.ijpharm.2022.122310
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.cc2bql7x
title: CCDC 2166659: Experimental Crystal Structure Determination

description: Related Article: Yunnan Xu, Yicong Luo, Jianxun Ye, Yu Deng, Delong Liu, Wanbin Zhang|2022|J.Am.Chem.Soc.|144|20078|doi:10.1021/jacs.2c09266
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.cc2bxm63
title: CCDC 2172455: Experimental Crystal Structure Determination

description: Related Article: Hai-Lun Xia, Kang Zhou, Liang Yu, Hao Wang, Xiao-Yuan Liu, Jing Li|2022|Inorg.Chem.|61|17109|doi:10.1021/acs.inorgchem.2c02547
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.7276922
title: Progeny Project NAMD data for MW1 and MW2 surfactants

description: Data of the excitation energy relaxation in MW1 and MW2 surfactants of Progeny project from non-adiabatic molecular dynamics simulations See Readme.txt for more details.
DOI: 10.5281/zenodo.7276921
title: Progeny Project NAMD data for MW1 and MW2 surfactants

description: Data of the excitation energy relaxation in MW1 and MW2 surfactants of Progeny project from non-adiabatic molecular dynamics simulations See Readme.txt for more details.
DOI: 10.5281/zenodo.7276707
title: Progeny Project DFT and NAMD data for periodic 2D surfactant

description: Crystalline unit cell, band structure, and electron-hole recombination dynamics from non-adiabatic molecular dynamics for the periodic 2D surfactant of the Progeny. See Readme.txt for more details.
DOI: 10.5281/zenodo.7276706
title: Progeny Project DFT and NAMD data for periodic 2D surfactant

description: Crystalline unit cell, band structure, and electron-hole recombination dynamics from non-adiabatic molecular dynamics for the periodic 2D surfactant of the Progeny. See Readme.txt for more details.
DOI: 10.5281/zenodo.7275502
title: Progeny Project DFT and TD-DFT data for MW1 and its variants with different side chain length

description: DFT and TD-DFT data, i.e. geometries, electronic excited states for the MW1 and its variants in vacuum with different length of side chains. See Readme.txt for more details.
DOI: 10.5281/zenodo.7275501
title: Progeny Project DFT and TD-DFT data for MW1 and its variants with different side chain length

description: DFT and TD-DFT data, i.e. geometries, electronic excited states for the MW1 and its variants in vacuum with different length of side chains. See Readme.txt for more details.
DOI: 10.3886/e113143v1-130382
title: Replication data for: Bias in Cable News: Persuasion and Polarization

description: We measure the persuasive effects of slanted news and tastes for like-minded news, exploiting cable channel positions as exogenous shifters of cable news viewership. Channel positions do not correlate with demographics that predict viewership and voting, nor with local satellite viewership. We estimate that Fox News increases Republican vote shares by 0.3 points among viewers induced into watching 2.5 additional minutes per week by variation in position. We then estimate a model of voters who select into watching slanted news, and whose ideologies evolve as a result. We use the model to assess the growth over time of Fox News influence, to quantitatively assess media-driven polarization, and to simulate alternative ideological slanting of news channels.
DOI: 10.5281/zenodo.7242904
title: Structural diversity as a reliable and novel predictor for ecosystem productivity

description: Data and code for LaRue et al. (2023) Structural diversity as a reliable and novel predictor for ecosystem productivity.<br> Frontiers in Ecology and the Environment: Accepted.
description: Funding was provided by NSF award #1638702, 1924942 and US Department of Agriculture Forest Service award #19-JV-11242305-102.
DOI: 10.5281/zenodo.7242903
title: Structural diversity as a reliable and novel predictor for ecosystem productivity

description: Data and code for LaRue et al. (2023) Structural diversity as a reliable and novel predictor for ecosystem productivity.<br> Frontiers in Ecology and the Environment: Accepted.
description: Funding was provided by NSF award #1638702, 1924942 and US Department of Agriculture Forest Service award #19-JV-11242305-102.
DOI: 10.17028/rd.lboro.21494106
title: Supplementary information files for Effect of printing parameters on microscale geometry for 3D printed lattice structures

description: Supplementary files for article Effect of printing parameters on microscale geometry for 3D printed lattice structures <br> This study investigated the effect of manufacturing parameters on the manufacturing quality of material extrusion additive manufacturing (MEAM), specifically focusing on the microscale geometry of lattice structures built up by discrete extruded filaments. The manufacturing parameters extrusion height, printing speed and extrusion width were investigated. Square grid structures, which can be precisely characterized, were used to develop fundamental understanding that can be translated to more complicated structures in future investigations. Print paths were directly created as machine control code (GCode) using FullControl GCode Designer, bypassing the conventional multi-stage translation of a design from CAD to an STL file, to slicing software and finally to GCode. This allowed precise parametric control of all aspects of the manufacturing procedure, including aspects that would not be possible with conventional slicing software such as control over the specific order and direction of printing each line, and the offsetting of specific printed lines on each layer in the Z direction by half the layer height. The printing quality of the structures was investigated with optical microscope and X-ray micro-computed tomography (micro-CT). Microscale changes to the extruded-filament geometry were characterized before and after filament-crossing points in the square grid structure, and internal cavities were identified. Printing speed was found to be a crucial parameter that should be carefully considered for lattice structure applications that require high manufacturing quality in terms of minimizing microscale geometric defects. Offsetting crossing extrudates by half the layer-height in the Z direction resulted in more consistent microscale geometry and greatly improved quality.
DOI: 10.17028/rd.lboro.21494106.v1
title: Supplementary information files for Effect of printing parameters on microscale geometry for 3D printed lattice structures

description: Supplementary files for article Effect of printing parameters on microscale geometry for 3D printed lattice structures <br> This study investigated the effect of manufacturing parameters on the manufacturing quality of material extrusion additive manufacturing (MEAM), specifically focusing on the microscale geometry of lattice structures built up by discrete extruded filaments. The manufacturing parameters extrusion height, printing speed and extrusion width were investigated. Square grid structures, which can be precisely characterized, were used to develop fundamental understanding that can be translated to more complicated structures in future investigations. Print paths were directly created as machine control code (GCode) using FullControl GCode Designer, bypassing the conventional multi-stage translation of a design from CAD to an STL file, to slicing software and finally to GCode. This allowed precise parametric control of all aspects of the manufacturing procedure, including aspects that would not be possible with conventional slicing software such as control over the specific order and direction of printing each line, and the offsetting of specific printed lines on each layer in the Z direction by half the layer height. The printing quality of the structures was investigated with optical microscope and X-ray micro-computed tomography (micro-CT). Microscale changes to the extruded-filament geometry were characterized before and after filament-crossing points in the square grid structure, and internal cavities were identified. Printing speed was found to be a crucial parameter that should be carefully considered for lattice structure applications that require high manufacturing quality in terms of minimizing microscale geometric defects. Offsetting crossing extrudates by half the layer-height in the Z direction resulted in more consistent microscale geometry and greatly improved quality.
DOI: 10.17632/bfr7fygm9h.1
title: Data: In situ synchrotron x-ray radiography data - Laser spot melting of pure nickel

description: In situ synchrotron x-ray radiography; Single spot melting and solidification; Pure nickel; Beamline 32-ID, APS
Link to the radiography data provided in: "In-situ Measurement Details" (Access Restricted)
DOI: 10.17632/6f8nygghjh.1
title: OM data 2020

description: Here, we are using three different EB PBF scan strategies: linear scan (LS), ordered spot scan (OS), and random spots scan (RS) to fuse the widely used Ti-6Al-4V powder (Ti64).  The change in scan strategies and therefore the thermal gradients create variation in the defects within the microstructure of the material. Such variations can be analyzed using optical microscopy (OM). 

After standard metallography sample preparation, imaging was performed using an Olympus DSX510 optical microscope on 5x magnification to characterize the entire surface of each sample with sufficiently high image resolution. High magnification images of the entire surface with smaller field-of-view were first taken step-by-step and subsequently stitched together. Samples were then etched to reveal the underlying microstructure to compare to existing EBSD scans to compare the grain structure exhibited from using different techniques.

 Using image processing (MIPAR) software, AM build defects were identified, quantified, and exported to a coding language for further data analysis. The code translates the provided quantitative data and generates histograms for eccentricity (roundness of defects), orientation (with respect to the positive x-axis), and caliper diameter (size), site-specifically. This allows to analysis the spatial distribution of defects, e.g., difference between defects in the center of the build vs. edge defects in each sample.
DOI: 10.17632/dvxxnwfcnx.1
title: high resolution 3D point cloud data on electrical beam melting Ti64 surface 

description: The sample part has surface dimensions of 15 by 15 mm^2, using a random scan pattern. The three files are scanned by the white light interferometer (Zygo NewView 8200 ), ultra-high-resolution structured light 3D scanner (SLS) (customized), and professional SLS (HP 3D STRUCTURED LIGHT SCANNER PRO S3). The spatial resolutions are 2 microns, 5 microns, and 48 microns, respectively. The scanning times are 10hrs, 4 seconds, and 4 seconds, respectively.
DOI: 10.17632/2t8y5f54pz.1
title: 3D scanning data for pyramid sample 

description: Point cloud data for EBM process printing surfaces. It has surface roughness and melt pool size change depending on the printing area due to heat accumulation. This data set is scanned by a customized ultra-high spatial resolution structured light scanner (5um).
DOI: 10.17632/y8nk84r47g.1
title: Ti-10-2-3 Thermophysical Properties for Thermal Simulations

description: Ti-10-2-3 Thermophysical Properties for Thermal Simulations with SYSWELD and FLOW-3D.
DOI: 10.17632/t5h8bzdb2b.1
title: IR and point cloud data visulization

description: IR and point cloud data visulization
DOI: 10.6073/pasta/8180b707ea3896ca75e85ef45de5f4fc
title: Environmental and biological data associated with captive-reared Delta Smelt Study, Sacramento-San Joaquin Delta, CA, January-March 2019

description: # Abstract The endangered Delta Smelt Hypomesus transpacificus is an osmerid fish endemic to the upper San Francisco Estuary. A captive breeding program for the species led by the Fish Culture and Conservation Laboratory (FCCL), University of California, Davis, began in 1996 to create a refuge population. In order to better understand how captive Delta Smelt would fare in conditions outside of the hatchery, we placed captive-reared fish in enclosures in the Sacramento San-Joaquin Delta, and evaluated their ability to survive, feed, and maintain condition. Fish were acclimated in the hatchery at FCCL, tagged, swabbed, weighed, measured, and transferred to enclosures in the field. There were three types of enclosures (n=2 for each type), varying in mesh size and wrap condition. In January 2019, 384 adult Delta Smelt (243 days post hatch) were transferred to enclosures in Rio Vista. In February 2019, 360 adult Delta Smelt (278 days post hatch) were transferred to enclosures in the Deepwater Shipping Channel. For each deployment, fish remained in enclosures for approximately one month, then were retrieved from enclosures, euthanized, identified, weighed and measured. A subset were also analyzed for diet contents. During the one-month long deployments, cages were checked for biofouling, damage, and dead fish, and water quality measurements and zooplankton samples were collected.
DOI: 10.3886/e182762
title: Replication files for "Revisiting the ‘Cobden-Chevalier network’ trade and welfare effects"

description: This study revisits the trade and welfare effects of 19th century bilateralism exploiting the latest developments in structural gravity models, including the consideration of domestic trade. Using bilateral trade data between 1855 and 1875, I show that the Cobden-Chevalier network, i.e. a system of bilateral trade agreements including the Most Favored Nation clause, has large, positive and significant effects on members’ trade. These, however, are heterogeneous at the treaty-level. I then calculate its general equilibrium effects on total trade and welfare. They are considerable, while trade diversion effects are negligible. These results reshape the understanding of the Cobden-Chevalier network, helping in further rationalizing the “free trade epidemic” of the 1860s and 1870s.
DOI: 10.3886/e182762v1
title: Replication files for "Revisiting the ‘Cobden-Chevalier network’ trade and welfare effects"

description: This study revisits the trade and welfare effects of 19th century bilateralism exploiting the latest developments in structural gravity models, including the consideration of domestic trade. Using bilateral trade data between 1855 and 1875, I show that the Cobden-Chevalier network, i.e. a system of bilateral trade agreements including the Most Favored Nation clause, has large, positive and significant effects on members’ trade. These, however, are heterogeneous at the treaty-level. I then calculate its general equilibrium effects on total trade and welfare. They are considerable, while trade diversion effects are negligible. These results reshape the understanding of the Cobden-Chevalier network, helping in further rationalizing the “free trade epidemic” of the 1860s and 1870s.
DOI: 10.57745/8ezwjm
title: Data_qPCR_SCAT.tab

description: qPCR data obtained from subcutaneous adipose tissue
DOI: 10.57745/kw3pzh
title: Data_Diff_SCAT.tab

description: Data based on adipose cell differentiation in vitro
DOI: 10.57745/06hres
title: Data_qPCR-PRAT.tab

description: qPCR data obtained from perirenal adipose tissue
DOI: 10.57745/lbwsf7
title: Data_qPCR_Blood.tab

description: qPCR data obtained from whole blood cells
DOI: 10.5281/zenodo.7277713
title: Slightly widely sliced cubic insulin data sets for Diamond / CCP4 workshop tutorials

description: A 450 x 0.2° image data set from a cubic insulin crystal recorded at Diamond Light Source beamline i03 for the 2022 CCP4 workshop. This is to accompany tutorials so that students can download data and work through tutorials at home Tutorial home space is https://github.com/graeme-winter/dials_tutorials
DOI: 10.5281/zenodo.7277712
title: Slightly widely sliced cubic insulin data sets for Diamond / CCP4 workshop tutorials

description: A 450 x 0.2° image data set from a cubic insulin crystal recorded at Diamond Light Source beamline i03 for the 2022 CCP4 workshop. This is to accompany tutorials so that students can download data and work through tutorials at home Tutorial home space is https://github.com/graeme-winter/dials_tutorials
DOI: 10.13012/b2idb-6972172_v1
title: Data for Evidence for a robust sign-changing s-wave order parameter in monolayer films of superconducting Fe(Se,Te)/Bi2Te3

description: This dataset consists of all the files that are part of the manuscript titled "Evidence for a robust sign-changing s-wave order parameter in monolayer films of superconducting Fe(Se,Te)/Bi2Te3". For detailed information on the individual files refer to the readme file.
DOI: 10.5281/zenodo.7277017
title: The convergence of an ensemble to an attractor during climate change

description: Time series of the annual mean near-surface air temperature of a grid point in the Southern Pacific in 192 members in each of two ensembles simulated by the Planet Simulator (Fraedrich et al., 2005) as described in Drotos et al. (2017) in relation to Fig. 2. One ensemble was initialised in year 0 (but note that the time series are available only from year 500 on) and the other in year 610 (the temperature of the last unperturbed year, year 609, is also included in the first lines of the corresponding files). The latter date is during a simulated climate change. G. Drótos, T. Bódai and T. Tél (2017), "On the importance of the convergence to climate attractors". Eur. Phys. J. Spec. Top. 226, 2031–2038. https://doi.org/10.1140/epjst/e2017-70045-7<br> K. Fraedrich, H. Jansen, E. Kirk, U. Luksch, F. Lunkeit (2005), "The Planet Simulator: Towards a user friendly model". Meteorol. Z. 14, 299–304. https://doi.org/10.1127/0941-2948/2005/0043
description: {"references": ["G. Dr\u00f3tos, T. B\u00f3dai and T. T\u00e9l (2017), \"On the importance of the convergence to climate attractors\". Eur. Phys. J. Spec. Top. 226, 2031\u20132038. https://doi.org/10.1140/epjst/e2017-70045-7", "K. Fraedrich, H. Jansen, E. Kirk, U. Luksch, F. Lunkeit (2005), \"The Planet Simulator: Towards a user friendly model\". Meteorol. Z. 14, 299\u2013304. https://doi.org/10.1127/0941-2948/2005/0043"]}
DOI: 10.5281/zenodo.7277016
title: The convergence of an ensemble to an attractor during climate change

description: Time series of the annual mean near-surface air temperature of a grid point in the Southern Pacific in 192 members in each of two ensembles simulated by the Planet Simulator (Fraedrich et al., 2005) as described in Drotos et al. (2017) in relation to Fig. 2. One ensemble was initialised in year 0 (but note that the time series are available only from year 500 on) and the other in year 610 (the temperature of the last unperturbed year, year 609, is also included in the first lines of the corresponding files). The latter date is during a simulated climate change. G. Drótos, T. Bódai and T. Tél (2017), "On the importance of the convergence to climate attractors". Eur. Phys. J. Spec. Top. 226, 2031–2038. https://doi.org/10.1140/epjst/e2017-70045-7<br> K. Fraedrich, H. Jansen, E. Kirk, U. Luksch, F. Lunkeit (2005), "The Planet Simulator: Towards a user friendly model". Meteorol. Z. 14, 299–304. https://doi.org/10.1127/0941-2948/2005/0043
description: {"references": ["G. Dr\u00f3tos, T. B\u00f3dai and T. T\u00e9l (2017), \"On the importance of the convergence to climate attractors\". Eur. Phys. J. Spec. Top. 226, 2031\u20132038. https://doi.org/10.1140/epjst/e2017-70045-7", "K. Fraedrich, H. Jansen, E. Kirk, U. Luksch, F. Lunkeit (2005), \"The Planet Simulator: Towards a user friendly model\". Meteorol. Z. 14, 299\u2013304. https://doi.org/10.1127/0941-2948/2005/0043"]}
DOI: 10.5281/zenodo.7275403
title: PML-V2 China staple crop (maize, wheat, rice) evapotranspiration, gross primary production and yield over 2003-2018

description: This dataset provides the yearly evapotranspiration (ET), gross primary production (GPP) and yield of the three staple crops (i.e., maize, wheat and rice) of China from 2003 to 2018. ET and GPP are estimated by the Penman-Monteith-Leuning version 2 model (PML-V2 model), and crop yield is the product of GPP and harvest index. The units of ET, GPP and yield are mm year<sup>-1</sup>, g C m<sup>-2</sup> year<sup>-1</sup> and kg ha<sup>-1</sup>, respectively. The PML-V2 model is calibrated and validated against the observed ET and GPP at EC sites for each crop type. The PML_V2 model uses CMFD meteorological drive and MODIS leaf area index (LAI), reflectivity (Albedo), emissivity (Emissivity) as inputs, and finally obtains PML_V2 crop evapotranspiration, gross primary production datasets. The data format is tiff, the spatiotemporal resolution is yearly and 0.0125°, and the time span is 2003-2018. The file name is "crop_variable_year.tif". For example, a file named Maize_ETsum_2003.tif corresponds to the total ET of maize in 2003.
description: Funding acknowledgements: The National Natural Science Foundation of China (Grant No. 41971032, 52009127). The CAS Talents Program. Beijing Natural Science Foundation (Grant No. 8222032) China Postdoctoral Science Foundation (Grant No. 2020M670441). CAS Special Research Assistant Funding Program.
DOI: 10.5519/qd.h0m2i738
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (680376 records)