cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.ccs4m0j
title: CCDC 719417: Experimental Crystal Structure Determination

description: Related Article: George H. Timmer, John F. Berry|2016|CSD Communication|||
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.cc1kb8jp
title: CCDC 1439842: Experimental Crystal Structure Determination

description: Related Article: Kuladip Sarma and Pranjit Barman|2016|CSD Communication|||
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.cc1n6r9x
title: CCDC 1525829: Experimental Crystal Structure Determination

description: Related Article: Lin Jiang|2017|CSD Communication|||
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.cc1n6rby
title: CCDC 1525830: Experimental Crystal Structure Determination

description: Related Article: Lin Jiang|2017|CSD Communication|||
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.cc1mnd0p
title: CCDC 1509142: Experimental Crystal Structure Determination

description: Related Article: Jocelyn Oyarce, Loreto Hernández, Guillermo Ahumada, Juan Pablo Soto, María Angélica del Valle, Vincent Dorcet, David Carrillo, Jean-René Hamon, Carolina Manzur|2017|Polyhedron|123|277|doi:10.1016/j.poly.2016.12.003
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.cc1mnd1q
title: CCDC 1509143: Experimental Crystal Structure Determination

description: Related Article: Jocelyn Oyarce, Loreto Hernández, Guillermo Ahumada, Juan Pablo Soto, María Angélica del Valle, Vincent Dorcet, David Carrillo, Jean-René Hamon, Carolina Manzur|2017|Polyhedron|123|277|doi:10.1016/j.poly.2016.12.003
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.cc1lv0r6
title: CCDC 1484768: Experimental Crystal Structure Determination

description: Related Article: Robin A. Taylor, Alan J. Lough, Takele Seda, Prashanth K. Poddutoori, Martin T. Lemaire|2017|Polyhedron|123|462|doi:10.1016/j.poly.2016.11.044
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.cc1lv0s7
title: CCDC 1484769: Experimental Crystal Structure Determination

description: Related Article: Robin A. Taylor, Alan J. Lough, Takele Seda, Prashanth K. Poddutoori, Martin T. Lemaire|2017|Polyhedron|123|462|doi:10.1016/j.poly.2016.11.044
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.cc1n6rd0
title: CCDC 1525832: Experimental Crystal Structure Determination

description: Related Article: A.Y. Nazarenko, E.B.Rusanov|1995|Pol.J.Chem.|69|1417|
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.ccqfb0g
title: CCDC 668205: Experimental Crystal Structure Determination

description: Related Article: Linda JW Shimon, David Milstein|2016|CSD Communication|||
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.cc13m8qq
title: CCDC 1031423: Experimental Crystal Structure Determination

description: Related Article: Wujiong Xia|2016|CSD Communication|||
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.cc1kckwc
title: CCDC 1441093: Experimental Crystal Structure Determination

description: Related Article: Wujiong Xia|2016|CSD Communication|||
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.cc1kckyf
title: CCDC 1441095: Experimental Crystal Structure Determination

description: Related Article: Wujiong Xia|2016|CSD Communication|||
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.cct4v4x
title: CCDC 749429: Experimental Crystal Structure Determination

description: Related Article: Michael Bendikov, Linda JW Shimon|2016|CSD Communication|||
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.ccyy20y
title: CCDC 891870: Experimental Crystal Structure Determination

description: Related Article: Chański Michał, Białońska Agata, Jakubas Ryszard, Piecha-Bisiorek Anna|2016|CSD Communication|||
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.ccyy21z
title: CCDC 891871: Experimental Crystal Structure Determination

description: Related Article: Chański Michał, Białońska Agata, Jakubas Ryszard, Piecha-Bisiorek Anna|2016|CSD Communication|||
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: 10.17632/g3f9kgkzxm.1
title: SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters

description: As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated clusters. Specifically, utilizing a local reformulation of the electrostatics, the Chebyshev polynomial filtered self-consistent field iteration, and a reformulation of the non-local component of the force, we develop a framework using the finite-difference representation that enables the efficient evaluation of energies and atomic forces to within the desired accuracies in DFT. Through selected examples consisting of a variety of elements, we demonstrate that SPARC obtains exponential convergence in energy and forces with domain size; systematic convergence in the energy and forces with mesh-size to reference plane-wave result at comparably high rates; forces that are consistent with the energy, both free from any noticeable ‘egg-box’ effect; and accurate ground-state properties including equilibrium geometries and vibrational spectra. In addition, for systems consisting up to thousands of electrons, SPARC displays weak and strong parallel scaling behavior that is similar to well-established and optimized plane-wave implementations, but with a significantly reduced prefactor. Overall, SPARC represents an attractive alternative to plane-wave codes for practical DFT simulations of isolated clusters.
DOI: 10.17632/c2fcbs64z6.1
title: Computational exploration of the binding mode of heme-dependent stimulators into the active catalytic domain of soluble guanylate cyclase

description: -
DOI: 10.5255/ukda-sn-852556
title: British and German expat life in Asia
DOI: 10.5281/zenodo.231147
title: Raw Fmri Data From 12 Rats Used In The Manuscript "Mapping Of Hemodynamic Responses To The Sensorymotor Stimulation In A Rodent Model: A Bold Fmri Study" Submitted To Plosone For Publication

description: Raw data are from twelve male adult Wistar rats (Charles River Laboratories, Paris-France) weighing 300 ± 20g.

Rats were initially anesthetized (induction) with 3% isoflurane and were maintained under 0,7-0.8% (sedation along with a muscle relaxation) during fMRI session. 

Each rat was submitted to two fMRI sessions: one with TE of 30 ms and and other with TE of 40 ms.

For fMRI acquisition, electrodes were inserted subcutaneously in the palmar surface of the right hindpaw of each rat and electrical stimulation (current pulses with a 1.7 mA amplitude, 10 ms duration and 8 Hz frequency) was applied in a block-design starting with a resting period of 25s as a baseline followed by 25s stimulation, repeated 8 times.

Ten 1-mm thick contiguous axial slices, from -6.36 mm to +2.64 mm to Bregma, were acquired with a two-shot gradient echo planar imaging (GE EPI) pulse sequence (2.56 cm2 FOV; 64x64 matrix size; a TR of 1000 ms; a flip angle of 50°) resulting in the pixel size of 0.4 mm.

All imaging experiments were performed on a 4.7T Bruker (Biospec 47/40, Bruker, GmbH, Ettlingen,Germany) with a horizontal bore magnet equipped with a 12 cm gradient coil (Bruker BGA12, 400 mT/m) and interfaced to AVANCE III console. Two actively decoupled RF coils were used: a 7.2-cm diameter volume coil for transmission and a 2-cm diameter surface coil (Rapid Biomedical, Rimpar, Germany) positioned on the top of the animal's head for reception.
DOI: 10.5258/soton/404345
title: Full quadrature regeneration of QPSK signals using sequential phase sensitive amplification and parametric saturation

description: We demonstrate all-optical regeneration of both the phase and the amplitude of a $10$\,GBaud quadrature phase shift keying (QPSK) signal using two nonlinear stages. First we regenerate the phase using a wavelength converting phase sensitive amplifier and then we regenerate the amplitude using a saturated single-pump parametric amplifier, returning the signal to its original wavelength at the same time. We exploit the conjugating nature of the two processing stages to eliminate the intrinsic SPM distortion of the system, further improving performance.
DOI: 10.5281/zenodo.165189
title: Marine Reserve Targets To Sustain And Rebuild Unregulated Fisheries

description: This upload contains data analysed in Krueck NC, Ahmadia GN, Possingham HP, Riginos C, Treml EA, Mumby PJ (2017) Marine reserve targets to sustain and rebuild unregulated fisheries. PLoS Biology 15(1): e2000537.

 

The zip folder "Generic" contains data used to analyse reserve impacts on fisheries as described for generic scenarios in the Materials and Methods section and as presented in Fig. 1 and Fig. 2. Results are stored in subfolders that specify modelling assumptions as defined in S3 Table. File names specify the assumed fishing pressure as defined in S3 Table. Each file contains a three-dimensional data matrix in MATLAB format (“dat.mat”), giving in the first dimension (rows #1-4) fishery catch relative to the maximum sustainable yield (row #1), total fish biomass relative to the maximum possible total fish biomass (row #2), fish biomass in reserves relative to the maximum possible fish biomass in reserves (row #3), and fish biomass in fished areas relative to the maximum possible fish biomass in fished areas (row #4). The second dimension (columns #1-101) gives results for increasing levels of reserve coverage (increments of 1%), ranging from no protection (column #1: open fishing ground, 0% reserve coverage) to full protection (column #101: 100% reserve coverage). The third dimension (#1-175) separates results for all simulated, taxon-specific rates of natural adult mortality and growth. More detailed information on mortality rates and growth coefficients of each simulated taxon (including species id, name, family, location of data collection, estimate of natural mortality rate, and estimate of growth coefficient) are available from the Excel spreadsheet "speciesInformation_Pauly1980_icesjms39.2.175.xlsx".

 

The zip folder "Keppels" contains all data used to analyse reserve impacts on fisheries as described in the Materials and Methods section for the Keppel islands scenarios and as presented in Fig. 1 and Fig. 2 (K scenarios). The data are stored in subfolders that specify modelling assumptions as defined in S3 Table. File names specify the assumed fishing pressure as defined in S3 Table. Data matrices were saved in MATLAB format (“dat.mat”), specifying fishery catch relative to the maximum sustainable yield. Columns #1-101 give results for increasing levels of reserve coverage (increments of 1%), ranging from no protection (column #1: open fishing ground) to full protection (column #101: 100% reserve coverage).
DOI: 10.17632/nm3vrz9tn9.1
title: EER4UnilagResidentialQuarters

description: Energy performance of residential air-conditioners at the University of Lagos is assessed, with regards to the thermal comfort consideration of the occupants. Using the regression of relevant thermal comfort parameters, the energy efficiency rating (EER) for air-conditioners in five (5) residential quarters, including Ransome-Kuti, Mbonu-Ojike, Baya Jidda, Ozolua, and High Rise, are analysed.
DOI: 10.14455/industry.res.2013.2
title: โครงการเพิ่มขีดความสามารถภาคอุตสาหกรรม ภายใต้นโยบายเศรษฐกิจระหว่างประเทศของไทย(ระยะที่ 4)
DOI: 10.14457/tu.res.2013.4
title: โครงการศึกษาความพร้อมของภาคอุตสาหกรรมสำหรับการจัดทำเขตการค้าเสรีของเอเปค(FTAAP)
DOI: 10.17632/94s7xd9mzt.2
title: Dataset on force measurements of needle insertions into two ex-vivo human livers

description: Please refer to the associated Data in Brief and/or the associated research article "PVA matches human liver in needle-tissue interaction".
DOI: 10.17632/fckj5d7wtr.1
title: Updated Core Libraries of the ALPS Project

description: The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries provide a convenient set of well-documented and reusable components for developing condensed matter physics simulation code, and the applications strive to make commonly used and proven computational algorithms available to a non-expert community. In this paper we present an updated and refactored version of the core ALPS libraries geared at the computational physics software development community, rewritten with focus on documentation, ease of installation, and software maintainability.
DOI: 10.5517/ccdc.csd.cc13tdr2
title: CCDC 1037314: Experimental Crystal Structure Determination

description: Related Article: Zachary W. Gilbert, Ian A. Tonks|2016|CSD Communication|||
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.cc1031w1
title: CCDC 926462: Experimental Crystal Structure Determination

description: Related Article: Zhiyong Jiang|2016|CSD Communication|||
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: 10.17037/data.125
title: IDEAS project - Study of behaviour change in maternal and newborn care in Northeast Nigeria
DOI: 10.17632/p93d3ksfvd.1
title: LikeDM: Likelihood calculator of dark matter detection

description: With the large progress in searches for dark matter (DM) particles with indirect and direct methods, we develop a numerical tool that enables fast calculations of the likelihoods of specified DM particle models given a number of observational data, such as charged cosmic rays from space-borne experiments (e.g., PAMELA, AMS-02), γ-rays from the Fermi space telescope, and underground direct detection experiments. The purpose of this tool — LikeDM, likelihood calculator for dark matter detection — is to bridge the gap between a particle model of DM and the observational data. The intermediate steps between these two, including the astrophysical backgrounds, the propagation of charged particles, the analysis of Fermi γ-ray data, as well as the DM velocity distribution and the nuclear form factor, have been dealt with in the code. We release the first version (v1.0) focusing on the constraints from indirect detection of DM with charged cosmic and gamma rays. Direct detection will be implemented in the next version. This manual describes the framework, usage, and related physics of the code.
DOI: 10.5517/ccdc.csd.cc1j6qwb
title: CCDC 1406652: Experimental Crystal Structure Determination

description: Related Article: Zhiyong Jiang|2016|CSD Communication|||
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.cc1jqmkf
title: CCDC 1421925: Experimental Crystal Structure Determination

description: Related Article: Zhiyong Jiang|2016|CSD Communication|||
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.cczm42s
title: CCDC 912115: Experimental Crystal Structure Determination

description: Related Article: Zhiyong Jiang|2016|CSD Communication|||
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: 10.5523/bris.1g55e0oh0sl6v1tzztdrbeullo
title: Absorption spectroscopy at the ultimate quantum limit from single-photon states
title: Underlying data for: Whittaker et al, NJP, 2017

description: Underlying data for correlated photon experiments used to demonstrate sub shot noise absorption spectroscopy measurements
DOI: 10.5517/ccdc.csd.cc12w8y5
title: CCDC 1009327: Experimental Crystal Structure Determination

description: Related Article: Tukki Sarkar, Samya Banerjee, Akhtar Hussain|2016|CSD Communication|||
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.cct2vrg
title: CCDC 747526: Experimental Crystal Structure Determination

description: Related Article: Seung Uk Son, Jaewon Choi|2016|CSD Communication|||
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: 10.5255/ukda-sn-7363-2
title: European Working Conditions Survey Integrated Data File, 1991-2015