cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc20956q
title: CCDC 1855852: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.1403509
title: Cardelino: Integrating Whole Exomes And Single-Cell Transcriptomes To Reveal Phenotypic Impact Of Somatic Variants

description: This dataset consists of the reference data files, metadata and processed results files for the paper "Cardelino: Integrating whole exomes and single-cell transcriptomes to reveal phenotypic impact of somatic variants," which investigates clonality in normal human dermal fibroblast cell populations in 32 cell lines from distinct donors, using bulk whole-exome sequencing and single-cell RNA-sequencing data.

This dataset contains everything required to reproduce the results presented in the paper from processed data and results of our data processing workflows. Our analyses can be reproduced using the source code and instructions available at our project website.

The <em>entire</em> analysis workflow from raw data to final results is also reproducible but is substantially more complicated and computationally intensive. It also requires large datasets to be obtained from other repositories. Specifically, single-cell RNA-seq data have been deposited in the ArrayExpress database at EMBL-EBI under accession number E-MTAB-7167. Whole-exome sequencing data is available through the HipSci portal (www.hipsci.org). Combined with the dataset in this repository and following the instructions on the project website, it is possible to run our entire analysis pipeline.
DOI: 10.5517/ccdc.csd.cc1zwr1n
title: CCDC 1843912: Experimental Crystal Structure Determination

description: Related Article: Petr A. Buikin, Andrey B. Ilyukhin, Nikolai P. Simonenko, Veronika K. Laurinavichyute, Vitalii Yu. Kotov|2018|Polyhedron|154|430|doi:10.1016/j.poly.2018.08.017
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.cc1zwr2p
title: CCDC 1843913: Experimental Crystal Structure Determination

description: Related Article: Petr A. Buikin, Andrey B. Ilyukhin, Nikolai P. Simonenko, Veronika K. Laurinavichyute, Vitalii Yu. Kotov|2018|Polyhedron|154|430|doi:10.1016/j.poly.2018.08.017
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.cc1zwr3q
title: CCDC 1843914: Experimental Crystal Structure Determination

description: Related Article: Petr A. Buikin, Andrey B. Ilyukhin, Nikolai P. Simonenko, Veronika K. Laurinavichyute, Vitalii Yu. Kotov|2018|Polyhedron|154|430|doi:10.1016/j.poly.2018.08.017
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.cc1zxk5m
title: CCDC 1844691: Experimental Crystal Structure Determination

description: Related Article: Umesh Neupane, R.N. Rai|2018|J.Solid State Chem.|268|67|doi:10.1016/j.jssc.2018.08.029
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.cc1zxkr6
title: CCDC 1844709: Experimental Crystal Structure Determination

description: Related Article: Jing-xin Ma, Zhihua Yang, Tong Zhou, Qi Guo, Jinhui Yang, Tianlin Yang, Qingfeng Yang|2018|New J.Chem.|42|15413|doi:10.1039/C8NJ02846J
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.cc1zxks7
title: CCDC 1844710: Experimental Crystal Structure Determination

description: Related Article: Jing-xin Ma, Zhihua Yang, Tong Zhou, Qi Guo, Jinhui Yang, Tianlin Yang, Qingfeng Yang|2018|New J.Chem.|42|15413|doi:10.1039/C8NJ02846J
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.cc20957r
title: CCDC 1855853: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc20958s
title: CCDC 1855854: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc20959t
title: CCDC 1855855: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095bv
title: CCDC 1855856: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095cw
title: CCDC 1855857: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095dx
title: CCDC 1855858: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095fy
title: CCDC 1855859: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095gz
title: CCDC 1855860: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095h0
title: CCDC 1855861: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc20kbsq
title: CCDC 1863713: Experimental Crystal Structure Determination

description: Related Article: Mengyu  Xu|2018|CSD Communication|||
description: Related Article: Meng-Yu Xu,  Wei-Tao Jiang,  Ying Li,  Qing-Hao Xu,  Qiao-Lan Zhou,  Shuo Yang,  Bin Xiao|2019|J.Am.Chem.Soc.|141|7582|doi:10.1021/jacs.9b02776
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.cc20kbxv
title: CCDC 1863717: Experimental Crystal Structure Determination

description: Related Article: Mengyu  Xu|2018|CSD Communication|||
description: Related Article: Meng-Yu Xu,  Wei-Tao Jiang,  Ying Li,  Qing-Hao Xu,  Qiao-Lan Zhou,  Shuo Yang,  Bin Xiao|2019|J.Am.Chem.Soc.|141|7582|doi:10.1021/jacs.9b02776
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.1404040
title: Simulations Of Popc/Pops Membranes With Kcl

description: Simulations of POPC/POPS (5:1, 144 lipids in total) membranes with 500, 1000, 2000, and 3000 mM of KCl. This is an update to a previous upload in which the PS tails were reversed, so it was actually 'OPPS'. Moreover, at 4000 mM of KCl the ions formed a crystal, so these data are omitted. The starting configurations were generated by CHARMM-GUI.

The files of the old submission are called  "PCPS-KClx" with 'x' indicating the concentration of KCl, whereas the new and corrected files are called "PCPS_KCL_x. 

Simulations of the same membrane in the presence of only counterions as well as in the presence of different amounts of CaCl_2 are available in DOI:10.5281/zenodo.897467

The systems contain 40 waters per lipid, and additional potassium counter ions for the anionic PS. Final concentrations differ from the initial as ions adsorb to the membrane. Concentration calculated as #ion/#water = [ion]/[water], where [water]=55.5 M.

The lipid model by Maciejewski and Rog [1,2,3] was used. Topologies (.itp) were obtained from [3] and the OPPS chains were reversed (the fixed itp is included in the upload) to create POPS. TIP3P water was used, and the ions were modelled using default OPLS ion parameters. All simulations are 300 ns long and the uploaded trajectories contain the last 200 ns. Simulation parameters common for all systems are given in the md.mdp file. Simulations were performed with Gromacs 2016.3 [4].

For each KCl concentration, the trajectory (.xtc), energy file (.edr), checkpoint file (.cpt), run input file (.tpr), index file (.ndx), topology file (.top), and the final structure (gro) are provided. 

[1] Maciejewski et al., J. Phys Chem. B 118, 2014, pp. 4571–4581, DOI: 10.1021/jp5016627 

[2] Kulig et al., Data in Brief 5, 2015, pp. 333–336, DOI: 10.1016/j.dib.2015.09.013

[3] Rog et al., Data in Brief 7, 2016, pp. 1171–1174, DOI: 10.1016/j.dib.2016.03.067

[4] Abraham et al., SoftwareX 1–2, 2015, pp. 19–25, DOI: 10.1016/j.softx.2015.06.001
DOI: 10.5517/ccdc.csd.cc1ywgw5
title: CCDC 1813868: Experimental Crystal Structure Determination

description: Related Article: Jinxiang Ye, Yuqi Lin, Qing Liu, Dekang Xu, Fan Wu, Bin Liu, Yu Gao, Haijun Chen|2018|Org.Lett.|20|5457|doi:10.1021/acs.orglett.8b02377
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.cc1zmjhm
title: CCDC 1836021: Experimental Crystal Structure Determination

description: Related Article: Amina Boughougal, Fatma Zohra Cherchali, Amel Messai, Nina Attik, Dominique Decoret, Maggy Hologne, Corinne Sanglar, Guillaume Pilet, Jean Bernard Tommasino, Dominique Luneau|2018|New J.Chem.|42|15346|doi:10.1039/C8NJ01774C
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.cc1zmjjn
title: CCDC 1836022: Experimental Crystal Structure Determination

description: Related Article: Amina Boughougal, Fatma Zohra Cherchali, Amel Messai, Nina Attik, Dominique Decoret, Maggy Hologne, Corinne Sanglar, Guillaume Pilet, Jean Bernard Tommasino, Dominique Luneau|2018|New J.Chem.|42|15346|doi:10.1039/C8NJ01774C
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.cc205rts
title: CCDC 1852585: Experimental Crystal Structure Determination

description: Related Article: ZhiQiang Weng|2018|CSD Communication|||
description: Related Article: Zhengyu Li, Jingnan Dong, Zihang Yuan, Ding-Yah Yang, Zhiqiang Weng|2018|Org.Lett.|20|6407|doi:10.1021/acs.orglett.8b02713
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.cc2095j1
title: CCDC 1855862: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095k2
title: CCDC 1855863: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095l3
title: CCDC 1855864: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095m4
title: CCDC 1855865: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095n5
title: CCDC 1855866: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc2095p6
title: CCDC 1855867: Experimental Crystal Structure Determination

description: Related Article: Lalita Negi, Ashutosh Shrivastava, Dinabandhu Das|2018|Chem.Commun.|54|10675|doi:10.1039/C8CC05859H
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.cc209shm
title: CCDC 1856450: Experimental Crystal Structure Determination

description: Related Article: Mohamed Elagawany, Lamees Hegazy, Feng Cao, Maureen J. Donlin, Nigam Rath, John Tavis, Bahaa Elgendy|2018|RSC Advances|8|29967|doi:10.1039/C8RA06297H
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.1403350
title: Data From: Change In Singing Behavior Of Humpback Whales Caused By Shipping Noise (Tsujii Et Al., 2018)

description: Audio (.wav) and comma-delimited text format (.csv) files are contained. <br>
This dataset was used in the study, which was submitted in 2018 to PLOS ONE for publication:

Koki Tsujii, Tomonari Akamatsu, Ryosuke Okamoto, Kyoichi Mori, Yoko Mitani, Naoya Umeda.<br>
Change in singing behavior of humpback whales caused by shipping noise.

This dataset was obtained in the research activity of underwater noise project of the Japan Ship Technology Research Association in the fiscal years of 2016 funded by the Nippon Foundation.
DOI: 10.5281/zenodo.1403351
title: Data From: Change In Singing Behavior Of Humpback Whales Caused By Shipping Noise (Tsujii Et Al., 2018)

description: Audio (.wav) and comma-delimited text format (.csv) files are contained. <br>
This dataset was used in the study, which was submitted in 2018 to PLOS ONE for publication:

Koki Tsujii, Tomonari Akamatsu, Ryosuke Okamoto, Kyoichi Mori, Yoko Mitani, Naoya Umeda.<br>
Change in singing behavior of humpback whales caused by shipping noise.

This dataset was obtained in the research activity of underwater noise project of the Japan Ship Technology Research Association in the fiscal years of 2016 funded by the Nippon Foundation.
DOI: 10.5281/zenodo.1404157
title: Corrigendum: Data For [Changing Abundance Of Magnetofossil Morphologies In Pelagic Red Clay Around Minamitorishima, Western North Pacific]

description: There is an error in a file in the original upload (doi: 10.5281/zenodo.896990).

Please refer to sratios-MR15E02PC12_corrected.xlsx for the proper data.

Also, a supporting material is missing in the publication, which is included in this upload.
DOI: 10.5281/zenodo.1404158
title: Corrigendum: Data For [Changing Abundance Of Magnetofossil Morphologies In Pelagic Red Clay Around Minamitorishima, Western North Pacific]

description: There is an error in a file in the original upload (doi: 10.5281/zenodo.896990).

Please refer to sratios-MR15E02PC12_corrected.xlsx for the proper data.

Also, a supporting material is missing in the publication, which is included in this upload.