cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1z3jm7
title: CCDC 1820649: Experimental Crystal Structure Determination

description: Related Article: Yu-Dong Yang, Han-Yuan Gong|2019|Chem.Commun.|55|3701|doi:10.1039/C8CC09911A
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.cc1z3jp9
title: CCDC 1820651: Experimental Crystal Structure Determination

description: Related Article: Yu-Dong Yang, Han-Yuan Gong|2019|Chem.Commun.|55|3701|doi:10.1039/C8CC09911A
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.cc1z681h
title: CCDC 1823266: Experimental Crystal Structure Determination

description: Related Article: Neetipalli Thrimurtulu, Arnab Dey, Anurag Singh, Kuntal Pal, Debabrata Maiti, Chandra M. R. Volla|2019|Adv.Synth.Catal.|361|1441|doi:10.1002/adsc.201801378
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.cc1z682j
title: CCDC 1823267: Experimental Crystal Structure Determination

description: Related Article: Neetipalli Thrimurtulu, Arnab Dey, Anurag Singh, Kuntal Pal, Debabrata Maiti, Chandra M. R. Volla|2019|Adv.Synth.Catal.|361|1441|doi:10.1002/adsc.201801378
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.cc1zp763
title: CCDC 1837655: Experimental Crystal Structure Determination

description: Related Article: Dolores-Judith Caballero-Jiménez, Omar-Jorge García-de-Jesús, Nazario Lopez, Yasmi-Graciela Reyes-Ortega, Miguel-Ángel Muñoz-Hernández|2019|Inorg.Chim.Acta|489|120|doi:10.1016/j.ica.2019.02.007
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.cc1zwt4t
title: CCDC 1843977: Experimental Crystal Structure Determination

description: Related Article: Selvaraj Shyamsivappan, Raju Vivek, Arjunan Saravanan, Thangaraj Arasakumar, Gopalan Subashini, Thangaraj Suresh, Ramasamy Shankar, Palathurai Subramaniam Mohan|2019|MedChemComm|10|439|doi:10.1039/C8MD00482J
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.cc1zx1nl
title: CCDC 1844210: Experimental Crystal Structure Determination

description: Related Article: Neetipalli Thrimurtulu, Arnab Dey, Anurag Singh, Kuntal Pal, Debabrata Maiti, Chandra M. R. Volla|2019|Adv.Synth.Catal.|361|1441|doi:10.1002/adsc.201801378
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.cc201hsc
title: CCDC 1848492: Experimental Crystal Structure Determination

description: Related Article: Mo Ashafaq, Mohd Khalid, Mukul Raizada, Anzar Ali, Mohd Faizan, M. Shahid, Musheer Ahmad|2019|Polyhedron|163|131|doi:10.1016/j.poly.2019.02.019
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.cc201htd
title: CCDC 1848493: Experimental Crystal Structure Determination

description: Related Article: Mo Ashafaq, Mohd Khalid, Mukul Raizada, Anzar Ali, Mohd Faizan, M. Shahid, Musheer Ahmad|2019|Polyhedron|163|131|doi:10.1016/j.poly.2019.02.019
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: 10.25345/c5dc82
title: MassIVE MSV000083467 - Serenoa-Repens-Multiplexed metabolomic approach
title: Phytochemical extracts are highly complex chemical mixtures. In the context of an increasing demand for phytopharmaceuticals, assessment of the phytochemical equivalence of close botanical species and extraction procedures is of utmost importance. Comprehensive characterization of a mixture requires a holistic approach in order to gain the broadest overview of phytochemical content. Compared to routine analytical methods, recent advances in metabolite profiling have pushed forward the concept of phytochemical equivalence. We used an untargeted metabolomic approach to cross-compare four marketed extracts from Serenoa repens obtained with three different extraction processes (ethanolic, hexanic and sCO2). Our approach involved a biphasic extraction of native compounds followed by liquid chromatography coupled to high resolution mass spectrometry using two orthogonal analytical procedures.  A multivariate data analysis was performed to emphasize differences among samples. Our results showed significant differences in the contents of major and minor compounds according to the extraction solvent used. Analyses showed that ethanolic extracts were supplemented in phosphoglycerides and polyphenols, hexanic extracts had higher amounts of free fatty acids and minor compounds, and sCO2 samples contained more glycerides. Our discriminant model could predict the extraction solvent used in commercial samples and highlighted the specific biomarkers of each process. This metabolomic survey allowed us to assess the phytochemical content of extracts and finished products of S. repens and highlighted significant differences in their phytochemical composition. Finally, this study established unequivocally that sCO2, hexanic and ethanolic extracts are not chemically equivalent and are therefore unlikely to be pharmacologically equivalent.
DOI: 10.5281/zenodo.2574693
title: Data to reproduce FAME results

description: Synthetic WGBS data set with ground truth and processed EPIC bead data set to reproduce results obtained for FAME and other methods appearing in [coming soon].

The original WGBS data complementing the EPIC bead calls are published by Pidsley et al. and should be downloaded using the IDs provided in the Online Appendix [coming soon].
DOI: 10.5281/zenodo.2574694
title: Data to reproduce FAME results

description: Synthetic WGBS data set with ground truth and processed EPIC bead data set to reproduce results obtained for FAME and other methods appearing in [coming soon].

The original WGBS data complementing the EPIC bead calls are published by Pidsley et al. and should be downloaded using the IDs provided in the Online Appendix [coming soon].
DOI: 10.5281/zenodo.2575062
title: Reproducibility Package for "Reproducible research and GIScience: an evaluation using AGILE conference papers"

description: Data and code for analysis and plots used in the manuscript "Reproducible research and GIScience: an evaluation using AGILE conference papers": https://doi.org/10.7287/peerj.preprints.26561v1

The deposited archived includes a Dockerfile and an R Markdown document suitable for use with Binder: https://mybinder.org/v2/gh/nuest/reproducible-research-and-giscience/6

The version tag of this repository matches the git tag on the code repository at https://github.com/nuest/reproducible-research-and-giscience, except version <code>6-fixed</code> which matches the tag <code>6</code>.
description: The documents in this repository are licensed under a Creative Commons Attribution 4.0 International License.

All contained code is licensed under the Apache License 2.0.

The data used is licensed under a Open Data Commons Attribution License.
DOI: 10.5287/bodleian:m81wpxae8
title: STN LFPs from Parkinson’s patients during stepping in place
DOI: 10.5517/ccdc.csd.cc1zwqdz
title: CCDC 1843892: Experimental Crystal Structure Determination

description: Related Article: Frankie D. White, Cristian Celis-Barros, Jillian Rankin, Eduardo Solís-Céspedes, David Dan, Alyssa N. Gaiser, Yan Zhou, Jasmine Colangelo, Dayán Páez-Hernández, Ramiro Arratia-Pérez, Thomas E. Albrecht-Schmitt|2019|Inorg.Chem.|58|3457|doi:10.1021/acs.inorgchem.8b03566
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.cc213pgb
title: CCDC 1880381: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213phc
title: CCDC 1880382: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pjd
title: CCDC 1880383: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pkf
title: CCDC 1880384: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213plg
title: CCDC 1880385: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pmh
title: CCDC 1880386: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pnj
title: CCDC 1880387: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213ppk
title: CCDC 1880388: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pql
title: CCDC 1880389: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213prm
title: CCDC 1880390: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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-853520
title: Reconceptualising how children with autism learn words 2016-2018
DOI: 10.5517/ccdc.csd.cc213psn
title: CCDC 1880391: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213ptp
title: CCDC 1880392: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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: 10.5063/f1tb1551
title: Elevation per SASAP region and Hydrolic Unit (HUC8) boundary for Alaskan watersheds

description: This dataset was created to assess regions and watersheds of Alaska for mean elevation, minimum elevation, maximum elevation, median elevation, standard deviation of elevation, range of elevation and coefficient of variation of elevation in each SASAP region and each HUC8 watershed of Alaska. Three DEM's were mosaicked to make an Alaska-wide tiff. These include separate files for Alaska, the Yukon, and British Columbia. They were combined with the "sasap_regions.zip" shapefile (Jared Kibele and Jeanette Clark. 2018. State of Alaska's Salmon and People Regional Boundaries. Knowledge Network for Biocomplexity. doi:10.5063/F1125QWP) to create the shapefile, "regions_elevation_shp.zip" and with the "sasap_watersheds_gapfix.zip" shapefile (Jared Kibele. 2018. Hydrologic Unit (HUC8) Boundaries for Alaskan Watersheds. Knowledge Network for Biocomplexity. doi:10.5063/F1Q52MV3.) to create the shapefile "watersheds_elevation_shp.zip". CSV versions of the resulting shapefiles are also archived. The included jupyter notebook which was used to merge the data, outlines the process in more detail. The included RMarkdown document is used to generate region and statewide figures for elevation, utilizing a set of functions written to map data for the SASAP project (Jeanette Clark, Rachel Carlson, and Jared Kibele. General mapping functions for data associated with the State of Alaska's Salmon and People (SASAP) project, 2019. Knowledge Network for Biocomplexity. doi:10.5063/F1Z31WXD).
DOI: 10.5517/ccdc.csd.cc213pvq
title: CCDC 1880393: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pwr
title: CCDC 1880394: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pxs
title: CCDC 1880395: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pyt
title: CCDC 1880396: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213pzv
title: CCDC 1880397: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213q0x
title: CCDC 1880398: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.cc213q1y
title: CCDC 1880399: Experimental Crystal Structure Determination

description: Related Article: Anna Olejniczak, Anna Katrusiak, Marcin Podsiadlo, Andrzej Katrusiak|2019|Cryst.Growth Des.|19|1832|doi:10.1021/acs.cgd.8b01799
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.