cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3520502
title: LIPID17 POPC-POPG 50:50 MD simulation, Na+ counterions and 1000mM CaCl2, 298K

description: The last 200ns of 720ns of MD simulation trajectory with Amber lipid 17 force field. POPC-POPG 50:50 (150 POPC, 150 POPG) with Na+ counterions and 1000mM CaCl2. The starting structure and lipid 17 parameters from here: https://zenodo.org/record/2585523#.Xbf0FC17FBx The starting structure was generated by removing appropriate number of POPC lipids to get 50:50 ratio. Dihedral types are corrected to type 9 as discussed here: https://github.com/NMRLipids/NMRlipidsIVPEandPG/issues/12.
DOI: 10.5281/zenodo.6948634
title: ClinSpEn-CC (Clinical Cases) Test + Background Set

description: This repository contains the test and background data for the ClinSpEn-Clinical Cases sub-track. ClinSpEn is part of the Biomedical WMT 2022 shared task, having the aim to promote the development and evaluation of machine translation systems adapted to the medical domain with three highly relevant sub-tracks: clinical cases, medical controlled vocabularies/ontologies, and clinical terms and entities extracted from medical content. The data is made up of a TSV file with three columns: document number, line number and English line. The direction of this sub-track is EN&gt;ES. The clinical cases themselves include COVID-19 case reports as well as diverse content extracted from PubMed. Related Links: <strong>- Data website with more information: </strong>https://temu.bsc.es/clinspen/ <strong>- WMT website (includes schedule, registration, ...): </strong>https://www.statmt.org/wmt22/ <strong>- CodaLab: </strong>https://codalab.lisn.upsaclay.fr/competitions/6696 ClinSpEn SAMPLE SETS: <strong>- ClinSpEn-CC Sample Set (Clinical Cases):</strong> https://doi.org/10.5281/zenodo.6497350 <strong>- ClinSpEn-CT Sample Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6497372 <strong>- ClinSpEn-OC Sample Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6497388 ClinSpEn TEST SETS: <strong>- ClinSpEn-CC Test Set (Clinical Cases): </strong>https://doi.org/10.5281/zenodo.6948634 <strong>- ClinSpEn-CT Test Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6948669 <strong>- ClinSpEn-OC Test Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6948679
DOI: 10.5281/zenodo.3871008
title: MD simulations of bilayers containing POPC and Cholesterol: 52POPC_76CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (52 POPC, 76 CHL), N_wat/lipid = 31, 24496 Atoms
DOI: 10.5281/zenodo.3871006
title: MD simulations of bilayers containing POPC and Cholesterol: 64POPC_64CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (64 POPC, 64 CHL), N_wat/lipid = 31, 25216 Atoms
DOI: 10.5281/zenodo.3871007
title: MD simulations of bilayers containing POPC and Cholesterol: 52POPC_76CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (52 POPC, 76 CHL), N_wat/lipid = 31, 24496 Atoms
DOI: 10.5281/zenodo.3871005
title: MD simulations of bilayers containing POPC and Cholesterol: 64POPC_64CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (64 POPC, 64 CHL), N_wat/lipid = 31, 25216 Atoms
DOI: 10.5281/zenodo.3871004
title: MD simulations of bilayers containing POPC and Cholesterol: 84POPC_44CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (84 POPC, 44 CHL), N_wat/lipid = 31, 26416 Atoms
DOI: 10.5281/zenodo.3871003
title: MD simulations of bilayers containing POPC and Cholesterol: 84POPC_44CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (84 POPC, 44 CHL), N_wat/lipid = 31, 26416 Atoms
DOI: 10.5281/zenodo.3871000
title: MD simulations of bilayers containing POPC and Cholesterol: 108POPC_20CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (108 POPC, 20 CHL), N_wat/lipid = 31, 27856 Atoms
DOI: 10.5281/zenodo.3870998
title: MD simulations of bilayers containing POPC and Cholesterol: 120POPC_8CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (120 POPC, 8 CHL), N_wat/lipid = 31, 28576 Atoms
DOI: 10.5281/zenodo.3870999
title: MD simulations of bilayers containing POPC and Cholesterol: 108POPC_20CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (108 POPC, 20 CHL), N_wat/lipid = 31, 27856 Atoms
DOI: 10.5281/zenodo.3870997
title: MD simulations of bilayers containing POPC and Cholesterol: 120POPC_8CHL_31Nwat_neutral (lipid14)

description: NMRLipids III CholXray project (nmrlipids.blogspot.fi) Gromacs 5.0.4, lipid14 FF (Madej et al. JPCB 2015, 119, 12424), 1 atm, 303K, 200ns 128 lipids (120 POPC, 8 CHL), N_wat/lipid = 31, 28576 Atoms
DOI: 10.5281/zenodo.6948670
title: ClinSpEn-CT (Clinical Terms) Test + Background Set

description: This repository contains the test and background data for the ClinSpEn-Clinical Terms sub-track. ClinSpEn is part of the Biomedical WMT 2022 shared task, having the aim to promote the development and evaluation of machine translation systems adapted to the medical domain with three highly relevant sub-tracks: clinical cases, medical controlled vocabularies/ontologies, and clinical terms and entities extracted from medical content. The data is made up of a TSV file with two columns: term number and Spanish term. The direction of this sub-track is ES&gt;EN. The used terms were directly extracted from medical literature and clinical records, with particular focus on diseases, symptoms, findings, procedures and professions. Related Links: <strong>- Data website with more information: </strong>https://temu.bsc.es/clinspen/ <strong>- WMT website (includes schedule, registration, ...): </strong>https://www.statmt.org/wmt22/ <strong>- CodaLab: </strong>https://codalab.lisn.upsaclay.fr/competitions/6696 ClinSpEn SAMPLE SETS: <strong>- ClinSpEn-CC Sample Set (Clinical Cases):</strong> https://doi.org/10.5281/zenodo.6497350 <strong>- ClinSpEn-CT Sample Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6497372 <strong>- ClinSpEn-OC Sample Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6497388 ClinSpEn TEST SETS: <strong>- ClinSpEn-CC Test Set (Clinical Cases): </strong>https://doi.org/10.5281/zenodo.6948634 <strong>- ClinSpEn-CT Test Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6948669 <strong>- ClinSpEn-OC Test Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6948679
DOI: 10.5281/zenodo.6948669
title: ClinSpEn-CT (Clinical Terms) Test + Background Set

description: This repository contains the test and background data for the ClinSpEn-Clinical Terms sub-track. ClinSpEn is part of the Biomedical WMT 2022 shared task, having the aim to promote the development and evaluation of machine translation systems adapted to the medical domain with three highly relevant sub-tracks: clinical cases, medical controlled vocabularies/ontologies, and clinical terms and entities extracted from medical content. The data is made up of a TSV file with two columns: term number and Spanish term. The direction of this sub-track is ES&gt;EN. The used terms were directly extracted from medical literature and clinical records, with particular focus on diseases, symptoms, findings, procedures and professions. Related Links: <strong>- Data website with more information: </strong>https://temu.bsc.es/clinspen/ <strong>- WMT website (includes schedule, registration, ...): </strong>https://www.statmt.org/wmt22/ <strong>- CodaLab: </strong>https://codalab.lisn.upsaclay.fr/competitions/6696 ClinSpEn SAMPLE SETS: <strong>- ClinSpEn-CC Sample Set (Clinical Cases):</strong> https://doi.org/10.5281/zenodo.6497350 <strong>- ClinSpEn-CT Sample Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6497372 <strong>- ClinSpEn-OC Sample Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6497388 ClinSpEn TEST SETS: <strong>- ClinSpEn-CC Test Set (Clinical Cases): </strong>https://doi.org/10.5281/zenodo.6948634 <strong>- ClinSpEn-CT Test Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6948669 <strong>- ClinSpEn-OC Test Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6948679
DOI: 10.5281/zenodo.4696036
title: Pure DPPC membrane with Charmm Drude Polarizable Force Field (OpenMM 7.5.0)

description: The pure DPPC membrane (36 lipids in each leaflet) simulations with the Charmm-Drude polarizable force field. Initial structure has been generated via Charmm-Gui on 01.03.2021. Before the production run, 100 ns equilibration was done using the Charmm36 force field. This trajectory is 170 ns long. Saving frequency is 10 ps. Simulation temperature is 323 K. There are 36 DPPC lipids in each leaflet and the system is solvated with 2232 SWM4 water molecules. There are no ions present.
DOI: 10.5281/zenodo.4696035
title: Pure DPPC membrane with Charmm Drude Polarizable Force Field (OpenMM 7.5.0)

description: The pure DPPC membrane (36 lipids in each leaflet) simulations with the Charmm-Drude polarizable force field. Initial structure has been generated via Charmm-Gui on 01.03.2021. Before the production run, 100 ns equilibration was done using the Charmm36 force field. This trajectory is 170 ns long. Saving frequency is 10 ps. Simulation temperature is 323 K. There are 36 DPPC lipids in each leaflet and the system is solvated with 2232 SWM4 water molecules. There are no ions present.
DOI: 10.5281/zenodo.3865283
title: Pure POPC Membrane Simulation Using Charmm-Drude Force Field with OpenMM

description: 400 ns MD simulation of pure POPC membrane using Charmm-Drude polarizable force field. The system contains 72 POPC lipids and 2809 SWM4 water molecules. The simulation have been performed using OpenMM 7.4.1 Before running the Drude simulation, the system has been equilibriated using Charmm36 force field for 200 ns. The last frame of that simulation was used to generate Drude polarizable model. The first 100 ns of the Drude simulation has been discarded from this dataset. This dataset does not contain the water molecules. <strong>Please note that</strong> the trajectories might need to be realigned.
DOI: 10.5281/zenodo.3865282
title: Pure POPC Membrane Simulation Using Charmm-Drude Force Field with OpenMM

description: 400 ns MD simulation of pure POPC membrane using Charmm-Drude polarizable force field. The system contains 72 POPC lipids and 2809 SWM4 water molecules. The simulation have been performed using OpenMM 7.4.1 Before running the Drude simulation, the system has been equilibriated using Charmm36 force field for 200 ns. The last frame of that simulation was used to generate Drude polarizable model. The first 100 ns of the Drude simulation has been discarded from this dataset. This dataset does not contain the water molecules. <strong>Please note that</strong> the trajectories might need to be realigned.
DOI: 10.5281/zenodo.3727549
title: NAMD Simulation of Pure POPC Membranes with CHARMM36 Force Field

description: <strong>System:</strong> POPC membrane with 72 (36 x 36) lipids <strong>Number of POPC: </strong>72 <strong>Number of Waters:</strong> 2520 <strong>Water model: </strong>TIP3P [WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein <em>J. Chem. Phys.</em> <strong>79</strong> 926 (1983)]. <strong>Force Field:</strong> CHARMM36 <strong>Simulation engine:</strong> NAMD Git-2020-02-27 for Linux-x86_64-multicore-CUDA [Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)] <strong>Number of independent repeats per setup: </strong>1.<br> <strong>Trajectory lengths per repeat:</strong> 100 ns.<br> <strong>Previously equilibrated for:</strong> 0 ns.<br> <strong>Sampling rate:</strong> every 100 ps. <strong>Time integration step:</strong> 2 fs. (For further info, please see the .inp file)
DOI: 10.5281/zenodo.3727548
title: NAMD Simulation of Pure POPC Membranes with CHARMM36 Force Field

description: <strong>System:</strong> POPC membrane with 72 (36 x 36) lipids <strong>Number of POPC: </strong>72 <strong>Number of Waters:</strong> 2520 <strong>Water model: </strong>TIP3P [WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein <em>J. Chem. Phys.</em> <strong>79</strong> 926 (1983)]. <strong>Force Field:</strong> CHARMM36 <strong>Simulation engine:</strong> NAMD Git-2020-02-27 for Linux-x86_64-multicore-CUDA [Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)] <strong>Number of independent repeats per setup: </strong>1.<br> <strong>Trajectory lengths per repeat:</strong> 100 ns.<br> <strong>Previously equilibrated for:</strong> 0 ns.<br> <strong>Sampling rate:</strong> every 100 ps. <strong>Time integration step:</strong> 2 fs. (For further info, please see the .inp file)
DOI: 10.5281/zenodo.3557669
title: DOPE in water (500 ns) run8

description: DOPE bilayer (128 lipids) in water (TIP3P, 4608). 500 ns, output every 50 ps. Run with gromacs/5.1.2
DOI: 10.5281/zenodo.3557668
title: DOPE in water (500 ns) run8

description: DOPE bilayer (128 lipids) in water (TIP3P, 4608). 500 ns, output every 50 ps. Run with gromacs/5.1.2
DOI: 10.5281/zenodo.6497373
title: ClinSpEn-CT Sample Set: Parallel English-Spanish Biomedical Terminology

description: The <strong>ClinSpEn-CT (clinical terms) dataset</strong> is a collection of EN-ES parallel biomedical terms to be used in the 2022 Workshop of Machine Translation (WMT)'s Biomedical Translation Task. The terms have been extracted from biomedical literature and electronic health records and translated and revised by professional medical translators. ClinSpEn-CT includes a total of 19 128 terms. The terms are presented as tab-separated file (tsv), with the first column corresponding to English terms and the second column to Spanish terms. This repository contains a sample set of the data with 7 000 terms. <strong>Related Links:</strong> <strong>- Data website with more information: </strong>https://temu.bsc.es/clinspen/ <strong>- WMT website (includes schedule, registration, ...): </strong>https://www.statmt.org/wmt22/ ClinSpEn SAMPLE SETS: <strong>- ClinSpEn-CC Sample Set (Clinical Cases):</strong> https://doi.org/10.5281/zenodo.6497350 <strong>- ClinSpEn-CT Sample Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6497372 <strong>- ClinSpEn-OC Sample Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6497388 ClinSpEn TEST SETS: <strong>- ClinSpEn-CC Test Set (Clinical Cases): </strong>https://doi.org/10.5281/zenodo.6948634 <strong>- ClinSpEn-CT Test Set (Clinical Terms): </strong>https://doi.org/10.5281/zenodo.6948669 <strong>- ClinSpEn-OC Test Set (Ontology Concepts): </strong>https://doi.org/10.5281/zenodo.6948679
DOI: 10.17864/1947.000336
title: The Reading Everyday Emotion Database (REED)

description: We developed a set of audio-visual recordings of emotions called the Reading Everyday Emotion Database (REED). Twenty-two native British English adults (12 females + 10 males) from a diverse age range and with drama/acting experience were recorded producing utterances of various lengths in spoken and sung conditions in 13 various emotions (neutral, the 6 basic emotions, and 6 complex emotions) using everyday recording devices (e.g., laptops, mobile phones, etc.). All the recordings were validated by a separate, independent group of raters (n = 155 adults), and the database consists only of recordings that were recognised above chance. This dataset contains metadata about the files in the database (in the README file). In addition, it also contains: - data_validation.csv -- Data for the validation task - UoR-DataAccessAgreement-000336.pdf -- The REED Data Access Agreement - example_clips.zip -- Example clips of the REED - InfoSheet.pdf -- Information sheet (the copy used for participants involved in the REED study) - ConsentForm.pdf -- Consent form (the copy used for participants involved in the REED study) Not available in current dataset: - The REED (will be sent to user once they have signed the Data Access Agreement) To request access to the REED, please complete a data access request at https://redcap.link/data-request. If your application meets the criteria, a Data Access Agreement (see "UoR-DataAccessAgreement-000336.pdf" for a copy) will be sent to your nominated institutional signatory. Once the agreement is signed and returned, the Research Data Service team will arrange secure access to the dataset.
DOI: 10.5517/ccdc.csd.cc28zr9b
title: CCDC 2114922: Experimental Crystal Structure Determination

description: Related Article: Zhiyuan Zhang, Min Cheng, Xinyi Xiao, Kexin Bi, Ting Song, Kong-qiu Hu, Yiyang Dai, Li Zhou, Chong Liu, Xu Ji, Wei-qun Shi|2022|ACS Applied Materials and Interfaces|14|29|doi:10.1021/acsami.2c05272
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.cc28zrbc
title: CCDC 2114923: Experimental Crystal Structure Determination

description: Related Article: Zhiyuan Zhang, Min Cheng, Xinyi Xiao, Kexin Bi, Ting Song, Kong-qiu Hu, Yiyang Dai, Li Zhou, Chong Liu, Xu Ji, Wei-qun Shi|2022|ACS Applied Materials and Interfaces|14|29|doi:10.1021/acsami.2c05272
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.5942730
title: DFT raw data for "Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a radiation-induced phase"

description: This is the DFT data for "Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a radiation-induced phase" https://doi.org/10.1039/D2TC01773C . It includes all predicted structures, the structure optimizations and the phonon computations in VASP format. Phonon computations were performed with the finite displacement method.
DOI: 10.5281/zenodo.5942729
title: DFT raw data for "Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a radiation-induced phase"

description: This is the DFT data for "Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: Evidence for and DFT simulation of a radiation-induced phase" https://doi.org/10.1039/D2TC01773C . It includes all predicted structures, the structure optimizations and the phonon computations in VASP format. Phonon computations were performed with the finite displacement method.
DOI: 10.34740/kaggle/dsv/4015538
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.5281/zenodo.6570912
title: Technical Debt on Agile Projects: Managers' point of view at Stack Exchange

description: Technical Debt on Agile Projects: Managers’ point of view at Stack Exchange XXI Simpósio Brasileiro de Qualidade de Software (SBQS '22), Nov 07--10, 2022, 2022, Curitiba, Paraná, Brasil.
DOI: 10.23708/vmwx3n
title: Qualitative data for analysis: semi-directive interviews about Covid-19 pandemic perception and management in Reunion Island in 2021

description: These data represent the different perception of Covid-19 and its management in Reunion Island. The corpus constitutes qualitative data obtained via semi-directive interviews of 53 participants which took place early 2021. The study questions the brakes and motors of adherence to health measures in order to inform public authorities in their current and future approaches to COVID or other future health crises.
DOI: 10.5519/qd.cqus4z0g
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (20838 records)
DOI: 10.34740/kaggle/dsv/4015582
title: 2021 World Population (updated daily)
DOI: 10.6084/m9.figshare.20411637
title: Tables_v16.xlsx

description: Supplemental Tables for Eljalby et al., 2022
DOI: 10.6084/m9.figshare.20411637.v1
title: Tables_v16.xlsx

description: Supplemental Tables for Eljalby et al., 2022
DOI: 10.5281/zenodo.6944193
title: A common temperature dependence of nutritional demands in ectotherms

description: In this dataset we show experimental results of the thermal dependencies of nutrient requirements of some aquatic ectotherms. We present the thermal response of the carbon:phosphorus threshold elemental ratio, growth, respiration, ingestion rate, gross growth efficiency of carbon and phosphorus.
DOI: 10.5281/zenodo.6944192
title: A common temperature dependence of nutritional demands in ectotherms

description: In this dataset we show experimental results of the thermal dependencies of nutrient requirements of some aquatic ectotherms. We present the thermal response of the carbon:phosphorus threshold elemental ratio, growth, respiration, ingestion rate, gross growth efficiency of carbon and phosphorus.
DOI: 10.5281/zenodo.6940283
title: Data used in the article: "Climate change impacts the vertical structure of marine ecosystem thermal ranges"

description: This dataset is used in the manuscript "Climate change impacts the vertical structure of marine ecosystem thermal ranges" accepted in Nature Climate Change 2022.
DOI: 10.5281/zenodo.6940118
title: Data used in the article: "Climate change impacts the vertical structure of marine ecosystem thermal ranges"

description: This dataset is used in the manuscript "Climate change impacts the vertical structure of marine ecosystem thermal ranges" accepted in Nature Climate Change 2022.
DOI: 10.6084/m9.figshare.20278695
title: Data from Malassis & Seed

description: This dataset was used for all the analyses presented in Malassis & Seed. Please see the Methods section of the paper for further details.
DOI: 10.6084/m9.figshare.20278695.v1
title: Data from Malassis & Seed

description: This dataset was used for all the analyses presented in Malassis & Seed. Please see the Methods section of the paper for further details.
DOI: 10.5517/ccdc.csd.cc20qvg2
title: CCDC 1869004: Experimental Crystal Structure Determination

description: Related Article: Jin-Bao Peng, Fu-Peng Wu, Anke Spannenberg, Xiao-Feng Wu|2019|Chem.-Eur.J.|25|8696|doi:10.1002/chem.201901530
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.