cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2c7l7g
title: CCDC 2182035: Experimental Crystal Structure Determination

description: Related Article: Miroslav Novák, Jan Turek, Yaraslava Milasheuskaya, Miriam Syková, Libor Dostál, Jesse Stalmans, Zdeňka Růžičková, Klaus Jurkschat, Roman Jambor|2023|Dalton Trans.|52|2749|doi:10.1039/D2DT03563D
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.cc2c7l8h
title: CCDC 2182036: Experimental Crystal Structure Determination

description: Related Article: Miroslav Novák, Jan Turek, Yaraslava Milasheuskaya, Miriam Syková, Libor Dostál, Jesse Stalmans, Zdeňka Růžičková, Klaus Jurkschat, Roman Jambor|2023|Dalton Trans.|52|2749|doi:10.1039/D2DT03563D
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.cc2c7l9j
title: CCDC 2182037: Experimental Crystal Structure Determination

description: Related Article: Miroslav Novák, Jan Turek, Yaraslava Milasheuskaya, Miriam Syková, Libor Dostál, Jesse Stalmans, Zdeňka Růžičková, Klaus Jurkschat, Roman Jambor|2023|Dalton Trans.|52|2749|doi:10.1039/D2DT03563D
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.cc2ch8ms
title: CCDC 2189425: Experimental Crystal Structure Determination

description: Related Article: Mariia Maliuta, Irena Senkovska, Ronja Thümmler, Sebastian Ehrling, Sophi Becker, Vitaliy Romaka, Volodymyr Bon, Jack D. Evans, Stefan Kaskel|2023|Dalton Trans.|52|2816|doi:10.1039/D3DT00085K
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.cc2ck324
title: CCDC 2191175: Experimental Crystal Structure Determination

description: Related Article: Yang Cheng, Qingqing Yang, Jiang He, Wenjie Zou, Keyu Liao, Xiaoyong Chang, Chao Zou, Wei Lu|2023|Dalton Trans.|52|2561|doi:10.1039/D2DT02872G
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.cc2ck335
title: CCDC 2191176: Experimental Crystal Structure Determination

description: Related Article: Yang Cheng, Qingqing Yang, Jiang He, Wenjie Zou, Keyu Liao, Xiaoyong Chang, Chao Zou, Wei Lu|2023|Dalton Trans.|52|2561|doi:10.1039/D2DT02872G
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.cc2ck346
title: CCDC 2191177: Experimental Crystal Structure Determination

description: Related Article: Yang Cheng, Qingqing Yang, Jiang He, Wenjie Zou, Keyu Liao, Xiaoyong Chang, Chao Zou, Wei Lu|2023|Dalton Trans.|52|2561|doi:10.1039/D2DT02872G
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.cc2ck357
title: CCDC 2191178: Experimental Crystal Structure Determination

description: Related Article: Yang Cheng, Qingqing Yang, Jiang He, Wenjie Zou, Keyu Liao, Xiaoyong Chang, Chao Zou, Wei Lu|2023|Dalton Trans.|52|2561|doi:10.1039/D2DT02872G
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.cc2ck368
title: CCDC 2191179: Experimental Crystal Structure Determination

description: Related Article: Yang Cheng, Qingqing Yang, Jiang He, Wenjie Zou, Keyu Liao, Xiaoyong Chang, Chao Zou, Wei Lu|2023|Dalton Trans.|52|2561|doi:10.1039/D2DT02872G
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.cc2ckclx
title: CCDC 2191439: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcmy
title: CCDC 2191440: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcnz
title: CCDC 2191441: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcp0
title: CCDC 2191442: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcq1
title: CCDC 2191443: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcr2
title: CCDC 2191444: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcs3
title: CCDC 2191445: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckct4
title: CCDC 2191446: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcv5
title: CCDC 2191447: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcw6
title: CCDC 2191448: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcx7
title: CCDC 2191449: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcy8
title: CCDC 2191450: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckcz9
title: CCDC 2191451: Experimental Crystal Structure Determination

description: Related Article: Kosuke Kitase, Daisuke Akahoshi, Takafumi Kitazawa|2023|Dalton Trans.|52|2571|doi:10.1039/D2DT03716E
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.cc2ckq6w
title: CCDC 2191768: Experimental Crystal Structure Determination

description: Related Article: Pankaj Kalita, Naushad Ahmed, Shruti Moorthy, Virginie Béreau, Arun Kumar Bar, Pawan Kumar, Prakash Nayak, Jean-Pascal Sutter, Saurabh Kumar Singh, Vadapalli Chandrasekhar|2023|Dalton Trans.|52|2804|doi:10.1039/D2DT03789K
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.7195837
title: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations: Simulations Topology, Coordinate, Parameters, Input and Output files

description: The simulation data for the article: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations. ck_metad.tar.gz: Includes the topology files, coordinates files and gromacs parameter input file (.mdp) used for WT-MetaD-HREX simulations with different c(K+), which are newly added runs for resubmission. The corresponding script files and Plumed files are in GitHub. eq_mini.tar.gz: Includes the parameter files required for the equilibration and minimization protocol. standard_md.tar.gz: Includes the topology files and coordinate files for all systems built in the article. Also include the hbfix parameters file required on the MD run, and the MD script file. metad.tar.gz: Includes the topology files, coordinates files and gromacs parameter input file (.mdp) used for WT-MetaD-HREX simulations. The corresponding script files and Plumed files are in GitHub. metad*fe*.tar.gz: Plumed HILLS files and metad.bias data used for drawing the free energy landscapes. ions.tar.gz: Data used for Figure.3 in the manuscript si_data.tar.gz: All data used for SI figures.
DOI: 10.5281/zenodo.7195838
title: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations: Simulations Topology, Coordinate, Parameters and Input files

description: The simulation data for the article: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations. eq_mini.tar.gz: Includes the parameter files required for the equilibration and minimization protocol. standard_md.tar.gz: Includes the topology files and coordinate files for all systems built in the article. Also include the hbfix parameters file required on the MD run, and the MD script file. metad.tar.gz: Includes the topology files, coordinates files and gromacs parameter input file (.mdp) used for WT-MetaD-HREX simulations. The corresponding script files and Plumed files are in GitHub.
DOI: 10.5281/zenodo.7197340
title: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations: Simulations Topology, Coordinate, Parameters, Input and Output files

description: The simulation data for the article: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations. eq_mini.tar.gz: Includes the parameter files required for the equilibration and minimization protocol. standard_md.tar.gz: Includes the topology files and coordinate files for all systems built in the article. Also include the hbfix parameters file required on the MD run, and the MD script file. metad.tar.gz: Includes the topology files, coordinates files and gromacs parameter input file (.mdp) used for WT-MetaD-HREX simulations. The corresponding script files and Plumed files are in GitHub. metad*fe*.tar.gz: Plumed HILLS files and metad.bias data used for drawing the free energy landscapes. ions.tar.gz: Data used for Figure.3 in the manuscript si_data.tar.gz: All data used for SI figures.
DOI: 10.5281/zenodo.7684315
title: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations: Simulations Topology, Coordinate, Parameters, Input and Output files

description: The simulation data for the article: Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations. ck_metad.tar.gz: Includes the topology files, coordinates files and gromacs parameter input file (.mdp) used for WT-MetaD-HREX simulations with different c(K+), which are newly added runs for resubmission. The corresponding script files and Plumed files are in GitHub. eq_mini.tar.gz: Includes the parameter files required for the equilibration and minimization protocol. standard_md.tar.gz: Includes the topology files and coordinate files for all systems built in the article. Also include the hbfix parameters file required on the MD run, and the MD script file. metad.tar.gz: Includes the topology files, coordinates files and gromacs parameter input file (.mdp) used for WT-MetaD-HREX simulations. The corresponding script files and Plumed files are in GitHub. metad*fe*.tar.gz: Plumed HILLS files and metad.bias data used for drawing the free energy landscapes. ions.tar.gz: Data used for Figure.3 in the manuscript si_data.tar.gz: All data used for SI figures.
DOI: 10.23728/b2share.b4475ebe2b5b4f90b517b37218539f92
title: Container system for blood sample

description: System diagram with dimensional reference and CAD drawing of the container system for processing of a blood sample.
DOI: 10.6084/m9.figshare.22188801
title: Combining ground stability investigation with exploratory drilling for mine water geothermal energy development. Lessons from exploration and monitoring.

description: Supplementary information is available in this document
DOI: 10.6084/m9.figshare.22188801.v1
title: Combining ground stability investigation with exploratory drilling for mine water geothermal energy development. Lessons from exploration and monitoring.

description: Supplementary information is available in this document
DOI: 10.6084/m9.figshare.22188742
title: An analysis of the spatio-temporal behavior of COVID-19 patients in the week prior to diagnosis using activity trajectory data

description: After the outbreak, the official websites of Nanjing Municipal Health Commission (http://wjw.nanjing.gov.cn/) and Yangzhou Municipal Health Commission (http://wjw.yangzhou.gov.cn/) promptly posted text descriptions of the activities of confirmed patients. The patient activity trajectory data used in this paper is derived from this source.
DOI: 10.6084/m9.figshare.22188742.v1
title: An analysis of the spatio-temporal behavior of COVID-19 patients in the week prior to diagnosis using activity trajectory data

description: After the outbreak, the official websites of Nanjing Municipal Health Commission (http://wjw.nanjing.gov.cn/) and Yangzhou Municipal Health Commission (http://wjw.yangzhou.gov.cn/) promptly posted text descriptions of the activities of confirmed patients. The patient activity trajectory data used in this paper is derived from this source.
DOI: 10.23728/b2share.8fc1b88e6fcb4ef6ba65f1a316f960be
title: Flow of the cartridge

description: Flowchart of an enclosed blood sample preprocessing cartridge.
DOI: 10.23728/b2share.0fc53b21b2294793bb9f6879b01bcf53
title: Liquid monitoring system for small channels

description: Tehcnical drawings, description and schematics of a simplified system used for monitoring liquid flow in microchannels.
DOI: 10.5281/zenodo.7310061
title: Simulation data of electrostatic wave dispersion relation measurement by MMS

description: We simulate electrostatic wave packets with an ion-acoustic like dispersion relation traveling at different directions in the probe coordinate system. We then set up a model spacecraft and measure the dispersion relation of the simulated wave packets using a method based on spin-plane interferometry.
DOI: 10.5281/zenodo.7310062
title: Simulation data of electrostatic wave dispersion relation measurement by MMS

description: We simulate electrostatic wave packets with an ion-acoustic like dispersion relation traveling at different directions in the probe coordinate system. We then set up a model spacecraft and measure the dispersion relation of the simulated wave packets using a method based on spin-plane interferometry.
DOI: 10.5281/zenodo.7682439
title: Simulation data of electrostatic wave dispersion relation measurement by MMS

description: We simulate electrostatic wave packets with an ion-acoustic like dispersion relation traveling at different directions in the probe coordinate system. We then set up a model spacecraft and measure the dispersion relation of the simulated wave packets using a method based on spin-plane interferometry.
DOI: 10.23728/b2share.321758cc750e4471a0e1415d21f28438
title: Mixing, measuring and working container for reagents

description: System diagram with dimensional reference and CAD model of a mixing, measuring and working container for reagents used in the processing of the sample with magnetic beads.
DOI: 10.5519/qd.m4cfznxh
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.34740/kaggle/dsv/5080984
title: Dataset, Images of symbols
DOI: 10.5281/zenodo.7684041
title: GPS DIA proteomics serial dilution

description: Analysis of a species mixture sample using DIA proteomics. Samples are a serial dilution (n=6) of yeast peptides (with a dilution factor of 2) into a constant background matrix of mouse kidney peptides. 10 technical replicates of each samples and in total 60 injections. The DIA data was searched with DIA-NN v1.8.1 using a conventional DDA based spectral library and library free (predicted spectral library). Included are the two DIA-NN results and search parameters.
DOI: 10.5281/zenodo.7684042
title: GPS DIA proteomics serial dilution

description: Analysis of a species mixture sample using DIA proteomics. Samples are a serial dilution (n=6) of yeast peptides (with a dilution factor of 2) into a constant background matrix of mouse kidney peptides. 10 technical replicates of each samples and in total 60 injections. The DIA data was searched with DIA-NN v1.8.1 using a conventional DDA based spectral library and library free (predicted spectral library). Included are the two DIA-NN results and search parameters.