cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc21734k
title: CCDC 1883657: Experimental Crystal Structure Determination

description: Related Article: Vladimir A. Motornov, Andrey A. Tabolin, Yulia V. Nelyubina, Valentine G. Nenajdenko, Sema L. Ioffe|2019|Org.Biomol.Chem.|17|1442|doi:10.1039/C8OB03126F
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.cc218vry
title: CCDC 1885350: Experimental Crystal Structure Determination

description: Related Article: Zhenxing Zhang, Lei Zhang, Yang Cao, Feng Li, Guangcan Bai, Guoquan Liu, Yang Yang, Fanyang Mo|2019|Org.Lett.|21|762|doi:10.1021/acs.orglett.8b04010
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.cc21b9k8
title: CCDC 1886739: Experimental Crystal Structure Determination

description: Related Article: Canon Kaiya, Katsunori Suzuki, Makoto Yamashita|2019|Organometallics|38|610|doi:10.1021/acs.organomet.8b00938
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.cc21b9l9
title: CCDC 1886740: Experimental Crystal Structure Determination

description: Related Article: Canon Kaiya, Katsunori Suzuki, Makoto Yamashita|2019|Organometallics|38|610|doi:10.1021/acs.organomet.8b00938
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.cc21b9mb
title: CCDC 1886741: Experimental Crystal Structure Determination

description: Related Article: Canon Kaiya, Katsunori Suzuki, Makoto Yamashita|2019|Organometallics|38|610|doi:10.1021/acs.organomet.8b00938
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.cc1z06t0
title: CCDC 1817462: Experimental Crystal Structure Determination

description: Related Article: David Rendón-Nava, Alejandro Álvarez-Hernández, Arnold L. Rheingold, Oscar R. Suárez-Castillo, Daniel Mendoza-Espinosa|2019|Dalton Trans.|48|3214|doi:10.1039/C8DT04432E
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.2547324
title: Rigorous results in electronic structure calculations

description: The provided dataset contains rigorous error bounds for the ESC and RDM libraries computed before <strong>2016-11-17</strong>.

The data is used in the publication "Rigorous results in electronic structure calculations" by Denis Chaykin, Christian Jansson, Frerich Keil, Marko Lange, Kai Torben Ohlhus, and Siegfried M. Rump (http://www.optimization-online.org/DB_HTML/2016/11/5730.html).

This ZIP-archive is organized as follows:


	<code>data</code> Computed error bounds for 47 ESC and 8 RDM test cases.
	<code>log</code> Log files of the computations.
	<code>src</code> Auxiliary MATLAB/GNU Octave code.
	<code>tables</code> Exported tables for the publication.
	<code>STEPx.m</code> Four MATLAB/GNU Octave functions to reproduce the data.


In general all scripts are executed and the results attached. The scripts are only provided for the purpose of reproducing the given data.


	<code>STEP1_setup.m</code> Adapt all paths to your local setup and run this function. In particular, the paths of INTLAB, SDPT3, and VSDP-2012 and the data paths of https://github.com/vsdp/ESC and https://github.com/vsdp/RDM must be set.  This function <strong>must</strong> be run before any other of the following functions!
	<code>STEP2_prepare_data.m</code> This function extracts the original test data and stores it in VSDP-2012 format inside a MAT-file. Those MAT-files can be found in the <code>data</code> subdirectory.
	<code>STEP3_run.m</code> This function actually performs all VSDP computations again. Thus it may take <strong>a few days</strong> to complete. Only consider to run this function for reproducing data.  It is strongly recommended to adapt the code for relevant parts or test cases only.  Logs are written to the <code>log</code> subdirectory.
	<code>STEP4_export_tables.m</code> This function exports the published tables. Those can be found in the <code>tables</code> subdirectory.
DOI: 10.5281/zenodo.2547325
title: Rigorous results in electronic structure calculations

description: The provided dataset contains rigorous error bounds for the ESC and RDM libraries computed before <strong>2016-11-17</strong>.

The data is used in the publication "Rigorous results in electronic structure calculations" by Denis Chaykin, Christian Jansson, Frerich Keil, Marko Lange, Kai Torben Ohlhus, and Siegfried M. Rump (http://www.optimization-online.org/DB_HTML/2016/11/5730.html).

This ZIP-archive is organized as follows:


	<code>data</code> Computed error bounds for 47 ESC and 8 RDM test cases.
	<code>log</code> Log files of the computations.
	<code>src</code> Auxiliary MATLAB/GNU Octave code.
	<code>tables</code> Exported tables for the publication.
	<code>STEPx.m</code> Four MATLAB/GNU Octave functions to reproduce the data.


In general all scripts are executed and the results attached. The scripts are only provided for the purpose of reproducing the given data.


	<code>STEP1_setup.m</code> Adapt all paths to your local setup and run this function. In particular, the paths of INTLAB, SDPT3, and VSDP-2012 and the data paths of https://github.com/vsdp/ESC and https://github.com/vsdp/RDM must be set.  This function <strong>must</strong> be run before any other of the following functions!
	<code>STEP2_prepare_data.m</code> This function extracts the original test data and stores it in VSDP-2012 format inside a MAT-file. Those MAT-files can be found in the <code>data</code> subdirectory.
	<code>STEP3_run.m</code> This function actually performs all VSDP computations again. Thus it may take <strong>a few days</strong> to complete. Only consider to run this function for reproducing data.  It is strongly recommended to adapt the code for relevant parts or test cases only.  Logs are written to the <code>log</code> subdirectory.
	<code>STEP4_export_tables.m</code> This function exports the published tables. Those can be found in the <code>tables</code> subdirectory.
DOI: 10.5281/zenodo.2542758
title: SC-XRD - General Cyclopropane Assembly via Enantioselective Transfer of a Redox-Active Carbene to Aliphatic Olefins

description: Raw data of SC-XRD structures.

ChemRxiv pre-print (https://doi.org/10.26434/chemrxiv.7436795)
description: {"references": ["10.26434/chemrxiv.7436795", "10.1002/anie.201814123R1"]}
DOI: 10.5281/zenodo.2542759
title: SC-XRD - General Cyclopropane Assembly via Enantioselective Transfer of a Redox-Active Carbene to Aliphatic Olefins

description: Raw data of SC-XRD structures.

ChemRxiv pre-print (https://doi.org/10.26434/chemrxiv.7436795)
description: {"references": ["10.26434/chemrxiv.7436795", "10.1002/anie.201814123R1"]}
DOI: 10.5281/zenodo.2542645
title: NMR, HPLC and HRMS data - General Cyclopropane Assembly via Enantioselective Transfer of a Redox-Active Carbene to Aliphatic Olefins

description: Raw data for the article with the same title.

ChemRxiv pre-print (https://doi.org/10.26434/chemrxiv.7436795)
description: {"references": ["10.26434/chemrxiv.7436795", "10.1002/anie.201814123R1"]}
DOI: 10.5281/zenodo.2542646
title: NMR, HPLC and HRMS data - General Cyclopropane Assembly via Enantioselective Transfer of a Redox-Active Carbene to Aliphatic Olefins

description: Raw data for the article with the same title.

ChemRxiv pre-print (https://doi.org/10.26434/chemrxiv.7436795)
description: {"references": ["10.26434/chemrxiv.7436795", "10.1002/anie.201814123R1"]}
DOI: 10.13016/hozi-03g2
title: Raw Experimental Data for work presented in "Scattering Statistics in Nonlinear Wave Chaotic Systems"

description: The dataset includes raw data files, Matlab code to analyze the data, and related CST simulations.
description: Raw experimental data for the work presented in "Scattering Statistics in Nonlinear Wave Chaotic Systems," published in the Journal Chaos.
DOI: 10.13016/t8oa-9qra
title: Quantifying Dissipation in Actomyosin Networks

description: This is contains the source code and data set used for the paper "Quantifying Dissipation in Actomyosin Networks."
description: Quantifying entropy production in various active matter phases would open new avenues for probing self-organization principles in these far-from-equilibrium systems. It has been hypothesized that the dissipation of free energy by active matter systems may be optimized to produce highly dissipative dynamical states, hence, leading to spontaneous emergence of more ordered states. This interesting idea has not been widely tested. In particular, it is not clear whether emergent states of actomyosin networks, which represent one of the most salient examples of biological active matter, self-organize following the principle of dissipa- tion optimization. In order to start addressing this question using detailed computational modeling, we rely on the MEDYAN simulation platform, which allows simulating active matter networks from fundamental molecular principles. We have extended the capabilities of MEDYAN to allow quantification of the rates of dissipation resulting from chemical re- actions and relaxation of mechanical stresses during simulation trajectories. This is done by computing precise changes in Gibbs free energy accompanying chemical reactions using a novel formula, and through detailed calculations of instantaneous values of the system’s mechanical energy. We validate our approach with a mean-field model that estimates the rates of dissipation from filament treadmilling. Applying this methodology to the self- organization of small disordered actomyosin networks, we find that compact and highly cross-linked networks tend to allow more efficient transduction of chemical free energy into mechanical energy. In these simple systems, we do not observe that spontaneous network reorganizations lead to increases in the total dissipation rate as predicted by the dissipation- driven adaptation hypothesis mentioned above. However, whether such a principle operates in more general, more complex cytoskeletal networks remains to be investigated.
DOI: 10.5281/zenodo.2548307
title: Supplementary Dataset for "Most Earth-surface calcites precipitate out of isotopic equilibrium", by M. Daëron, R.N. Drysdale, M. Peral, D. Huyghe, D. Blamart, T.B. Coplen, F. Lartaud, and G. Zanchetta

description: This repository contains the raw data files and Python code used to generate all figures and equations included in the article "Most Earth-surface calcites precipitate out of isotopic equilibrium", by Daëron et al. (https://doi.org/10.1038/s41467-019-08336-5).
description: This version was updated to correct the oxygen-18 fractionation for the Uvigerina mediterranea sample of Peral et al. (2018) by 0.47 ‰.
DOI: 10.25625/97d6tl
title: Presentations and material of "Workshop zu Forschungsdatenmanagement und -infrastruktur in DFG-Sonderforschungsbereichen", 26./27. November 2018 in Göttingen

description: Presentations held and materials produced at "Workshop zu Forschungsdatenmanagement und -infrastruktur in DFG-Sonderforschungsbereichen", 26./27. November 2018 in Göttingen. Contents of presentations were provided by the authors mentioned on the first slide of each presentation. More information: forschungsdaten.org  The workshop was organised by Göttingen Research Data Exploratory (GRAcE), a project funded by the German Ministry of Education and Research, in cooperation with partners from the Universities of Bielefeld, Cologne, Dresden, Kiel and Marburg.
DOI: 10.25625/97d6tl/4qegti
title: INF2018_presentation_Engelhardt.pdf
DOI: 10.25625/97d6tl/gaj8r9
title: INF2018_presentation_Redoehl.pdf
DOI: 10.25625/97d6tl/kgdkp6
title: INF2018_presentation_Brase.ppt
DOI: 10.25625/97d6tl/lve857
title: INF2018_presentation_GRAcE.pdf
DOI: 10.25625/97d6tl/p6xwb5
title: INF2018_world_cafe_technische_implementierung.jpeg

description: Documentation of the world café table on "Technical Implementation" which was hosted by Tobias Otto (Ruhr-Universität Bochum).
DOI: 10.25625/97d6tl/r2x9n0
title: INF2018_world_cafe_nachnutzung.jpeg

description: Documentation of the world café table on "Re-use of INF results" which was hosted by Dirk Fleischer (Christian-Albrechts-Universität zu Kiel).
DOI: 10.25625/97d6tl/uvp3ys
title: INF2018_world_cafe_failures_and_major_issues.jpeg

description: Documentation of the world café table on "Failures and Major Issues" which was hosted by Ortrun Brand (Philipps-Universität Marburg).
DOI: 10.25625/97d6tl/x8fmm9
title: INF2018_world_cafe_best_practices.jpeg

description: Documentation of the world café table on "Best Practices" which was hosted by Silke Schwandt (Universität Bielefeld).
DOI: 10.25919/5c4989fc90aad
title: Parkes observations for project P456 semester 2018OCTS_25

description: The Parkes Pulsar Timing Array (PPTA) project has three primary goals: (a) detection of gravitational waves from astronomical sources, (b) establishment of a pulsar timescale, and (c) improvement of our understanding of Solar-system dynamics. The PPTA is the oldest of three international pulsar timing groups. We have the smallest telescope and the smallest group, but the best measurements and the best results. Our bound on the strength of the incoherent gravitational wave background is the only bound which significantly constrains theoretical models. We have maintained our leading position because: we have the southern sky; we have a small but well-focussed group; we have the best-calibrated receivers; and we have been able to observe with an almost regular cadence of 15 to 20 days at three different wavelengths. With this proposal we aim to maintain our pre-eminent position in the field.

Unlike most observing proposals, this is a continuing proposal for which the observations will continue to improve bounds on ultra-low-frequency gravitational waves until they are finally detected. Continued Parkes observations will remain valuable at least until the first stage of the SKA is able to improve on our sensitivity and observing cadence. Even after the gravitational wave background is detected we will want to continue observations in support of the nascent field of gravitational wave astronomy!
DOI: 10.5880/tr32db.33
title: Crop Classification 2017 of the Rur Catchement using Sentinel-1 and data from open.NRW

description: This dataset contains the crop classification of 2017 for the German area of the CRC/Transregio 32: "Patterns in Soil-Vegetation-Atmosphere Systems: monitoring, modelling and data assimilation." The crop classification is derived from multitemporal remote sensing data analysis using Sentinel-1. In total 70 acquisitions, each covering the whole AOI were used. External data from open.NRW was used. The DGM1 and the ALKIS cadastre data. Accuracy assessment revealed a high overall accuracy of about 97% for the eleven crop classes. Only the German part of the TR32 is included in the data.
DOI: 10.17632/z9bc47jj55.1
title: Data for: A Co-Occurrence-based Design Structure Matrix Support with Three-Way-based Learning for Engineering Change Management in Smart Product-Service Systems

description: This research data (.zip file), as the supplementary materials of the original article, contain the python programs, MATLAB code, engineering change records, and processed data all along the proposed systematic approach consequently. For confidentiality and readability purposes, raw data has been filtered and simplified into a pre-defined information table with only numbers (i.e. number of change records, condition label, and change of the model) presented. It is hoped that the research work together with this elaborate research data can provide insightful knowledge of data-driven engineering change management to other scholars and manufacturers.
DOI: 10.25919/5c4999e92a83d
title: Parkes observations for project P885 semester 2018OCTS_04

description: We propose to observe PSR J1622-4950 and 1E1547.0-5408 weekly, two
of three magnetars known to currently emit radio pulsations, to
track their rotation, flux density, and polarisation. Less frequently
we will monitor XTE J1810-197, which used to emit radio pulsations,
to be on the lookout for its revival - as recently happened with PSR
J1622-4950, which turned on in 2017 after more than 2 years dormant!
These observations yield a continuous record of torque, illuminating
the continued release of magnetic energy. Our broader aims are to
develop a better understanding of the dynamical behaviour of magnetar
magnetospheres, and to establish the conditions under which radio
emission takes place therein, in addition to characterising their
variable radio emission in order to place constraints on the emission
mechanisms, which in at least some respects differ from those of
ordinary pulsars.
DOI: 10.25919/5c499a2ff0a00
title: Parkes observations for project P885 semester 2018OCTS_05

description: We propose to observe PSR J1622-4950 and 1E1547.0-5408 weekly, two
of three magnetars known to currently emit radio pulsations, to
track their rotation, flux density, and polarisation. Less frequently
we will monitor XTE J1810-197, which used to emit radio pulsations,
to be on the lookout for its revival - as recently happened with PSR
J1622-4950, which turned on in 2017 after more than 2 years dormant!
These observations yield a continuous record of torque, illuminating
the continued release of magnetic energy. Our broader aims are to
develop a better understanding of the dynamical behaviour of magnetar
magnetospheres, and to establish the conditions under which radio
emission takes place therein, in addition to characterising their
variable radio emission in order to place constraints on the emission
mechanisms, which in at least some respects differ from those of
ordinary pulsars.
DOI: 10.25919/5c499a7120bb8
title: Parkes observations for project P996 semester 2018OCTS_14

description: We propose to measure the polarisation of ~200 pulsars (~100 this semester) using the Ultra-Wideband Low (UWL) receiver to investigate the structure of the Galactic disk magnetic field in and between distant spiral arms. Previous Parkes pulsar observations have revealed field reversals in nearby arm and interarm regions. We wish to exploit the greater sensitivity of the UWL receiver to extend this to more distant regions, thereby allowing us to distinguish more clearly between different models for the structure of the disk field. This work will have important implications for theories for the generation of Galactic magnetic fields and for other areas, e.g., cosmic-ray physics, which depend on a knowledge of the large-scale Galactic magnetic field for their interpretation.
DOI: 10.20375/0000-000b-d511-1
title: DHd 2019 Book of Abstracts Hackathon Workshop Abstract

description: Das Abstract zum Workshop "DHd Book of Abstracts Hackathon" auf der Verbandskonferenz der Digital Humanities im deutschsprachigen Raum (DHd) in Mainz & Frankfurt 2019.
DOI: 10.20375/0000-000b-d512-0
title: DHd 2019 Book of Abstracts Hackathon Workshop Abstract

description: Das Abstract zum Workshop "DHd Book of Abstracts Hackathon" auf der Verbandskonferenz der Digital Humanities im deutschsprachigen Raum (DHd) in Mainz & Frankfurt 2019.
DOI: 10.20375/0000-000b-d513-f
title: DHd 2019 Book of Abstracts Hackathon Workshop Abstract

description: Das Abstract zum Workshop "DHd Book of Abstracts Hackathon" auf der Verbandskonferenz der Digital Humanities im deutschsprachigen Raum (DHd) in Mainz & Frankfurt 2019.
DOI: 10.15129/c6f8abc4-4bcb-4657-b71f-be1b057a9b43
title: Angular Regions - Line Hough Transform (AR-LHT) Implementation on Field Programmable Gate Array (FPGA)

description: This repository contains the dataset for the implementation of the Angular Regions - Line Hough Transform (AR-LHT) on Field Programmable Gate Array (FPGA). This dataset is used by the publication "FPGA Implementation of a Memory-Efficient Hough Parameter Space for the Detection of Lines".

The dataset for the AR-LHT FPGA implementation is provided as a set of Matlab and Simulink files for simulation and VHDL generation. Images and reports are provided in .bitmap and .txt format respectively. Simulink models and M-files can be opened using Vivado 2018.1 and MATLAB 2018a. System Generator must be configured from Vivado 2018.1 to use MATLAB 2018a, prior to opening any Simulink model. Bitmaps can be opened using any good image viewer and text files can be opened using Notepad++.

Simulink models that have already been tested for VHDL generation, synthesis, and implementation are provided. These models are parameterised using several different resolutions as specified in the corresponding publication. Hardware resource utilisation and timing analysis are provided as text reports from previous FPGA implementation design runs.

The primary simulation that tests the functionality of the AR-LHT is also provided. This simulation uses two candidate images, also found within this dataset, to test the ability of the AR-LHT.

Instructions on how to execute FPGA implementation and run the AR-LHT simulation can be found in the README text document.
DOI: 10.17632/5dzw6r2dwx.1
title: Data for: Cyclostratigraphy and Astronomical Tuning of the Middle Eocene Terrestrial Successions in the Bohai Bay Basin, Eastern China

description: magnetic susceptibility and paleomagnetic data
DOI: 10.25919/5c499e7f4a2d2
title: Parkes observations for project P996 semester 2018OCTS_15

description: We propose to measure the polarisation of ~200 pulsars (~100 this semester) using the Ultra-Wideband Low (UWL) receiver to investigate the structure of the Galactic disk magnetic field in and between distant spiral arms. Previous Parkes pulsar observations have revealed field reversals in nearby arm and interarm regions. We wish to exploit the greater sensitivity of the UWL receiver to extend this to more distant regions, thereby allowing us to distinguish more clearly between different models for the structure of the disk field. This work will have important implications for theories for the generation of Galactic magnetic fields and for other areas, e.g., cosmic-ray physics, which depend on a knowledge of the large-scale Galactic magnetic field for their interpretation.