cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6073/pasta/772227f2ce8385da8e376061f19fe256
title: Aboveground Net Primary Productivity across inter-annual precipitation variability treatments at a grassland site in the Jordada Basin, 2009-2014

description: This ongoing dataset contains annual aboveground net primary
  productivity (ANPP) data from a study at the Jornada Experimental
  Range (JER) in southern New Mexico. The study was designed to assess
  the effect of interannual variability in precipitation on average
  aboveground net primary productivity (ANPP) in Chihuahuan Desert
  grasslands. The study began in 2009, has five precipitation treatments
  (see Methods) and contains 50 plots (10 per treatment). This data
  package contains 6-year (2009 to 2014) means of ANPP per plot. Annual
  and more recent data are available and will be released pending an
  upcoming publication.
DOI: 10.5281/zenodo.2642189
title: Wikipedia Dataset for "Structure Tree-LSTM: Structure-aware Attentional Document Encoders"

description: The Wikipedia dataset collected for the paper "Structure Tree-LSTM: Structure-aware Attentional Document Encoders".

Paper link: https://arxiv.org/abs/1902.09713
DOI: 10.5281/zenodo.2642190
title: Wikipedia Dataset for "Structure Tree-LSTM: Structure-aware Attentional Document Encoders"

description: The Wikipedia dataset collected for the paper "Structure Tree-LSTM: Structure-aware Attentional Document Encoders".

Paper link: https://arxiv.org/abs/1902.09713
DOI: 10.5519/qd.vg7bvty2
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.21979/n9/o5xl2x/kyppev
title: data_stacking.rar

description: This is the first published version.
DOI: 10.5281/zenodo.2648563
title: Fremont Bridge Hourly Bicycle Counts by Month October 2012 to present

description: The Fremont Bridge Bicycle Counter records the number of bikes that cross the bridge using the pedestrian/bicycle pathways. Inductive loops on the east and west pathways count the passing of bicycles regardless of travel direction. The data consists of a date/time field: Date, east pathway count field: Fremont Bridge NB, and west pathway count field: Fremont Bridge SB. The count fields represent the total bicycles detected during the specified one hour period. Direction of travel is not specified, but in general most traffic in the Fremont Bridge NB field is travelling northbound and most traffic in the Fremont Bridge SB field is travelling southbound.
description: Retrieved from Seattle Department of Transportation https://data.seattle.gov/Transportation/Fremont-Bridge-Hourly-Bicycle-Counts-by-Month-Octo/65db-xm6k
DOI: 10.5281/zenodo.2648564
title: Fremont Bridge Hourly Bicycle Counts by Month October 2012 to present

description: The Fremont Bridge Bicycle Counter records the number of bikes that cross the bridge using the pedestrian/bicycle pathways. Inductive loops on the east and west pathways count the passing of bicycles regardless of travel direction. The data consists of a date/time field: Date, east pathway count field: Fremont Bridge NB, and west pathway count field: Fremont Bridge SB. The count fields represent the total bicycles detected during the specified one hour period. Direction of travel is not specified, but in general most traffic in the Fremont Bridge NB field is travelling northbound and most traffic in the Fremont Bridge SB field is travelling southbound.
description: Retrieved from Seattle Department of Transportation https://data.seattle.gov/Transportation/Fremont-Bridge-Hourly-Bicycle-Counts-by-Month-Octo/65db-xm6k
DOI: 10.5281/zenodo.2648720
title: Finding The Impact of GDP on Education Attainment in Austria - Datasets

description: Finding The Impact of GDP on Education Attainment in Austria - Datasets
DOI: 10.5281/zenodo.2648721
title: Finding The Impact of GDP on Education Attainment in Austria - Datasets

description: Finding The Impact of GDP on Education Attainment in Austria - Datasets
DOI: 10.17632/fwgwkjxwf2.1
title: Data for: Influence of changes in electronic structure on magnetocrystalline anisotropy of YCo5 and related compounds

description: Generally there are the following calculations: non spin-polarized (+optimization and relaxation), spin-polarized and spin-orbit coupling (+optimization and relaxation). If the structure has been optimized before, optimization can be omitted. For some cases spin-polarization and SOC are better carried out separately. For PrCo5, non spin-polarized makes little sense, since the magnetic structure is canted and non spin-polarized calculation can find a grossly wrong ground state. Some times the optimization and relaxation calculations are carried out simultaneously The the final calculations are for two crystallographic directions (to calculate magnetic anisotropy). The file CHGCAR has the converged densities and charges (contour plots), DOS plots are calculated from vasprun.xml and energies are read from OUTCAR. JMMM_Asali_1_hcp_Co shows the total energy calculations and the optimized and relaxed structures for hcp_Co. JMMM_Asali_2_Co5 shows the total energy calculations and the optimized and relaxed structures for Co5. JMMM_Asali_3_Co6 shows the total energy calculations and the optimized and relaxed structures for Co6. JMMM_Asali_4_YCo5 shows the total energy calculations and the optimized and relaxed structures for YCo5, but as many calculations were carried out for YCo5, not all results are taken from this calculation. But the optimized structure from this calculation was used as a starting point for other YCo5 calculations. JMMM_Asali_5_SmCo5 shows the total energy calculations of SmCo5 (the optimization was done separately). JMMM_Asali_6_PrCo5 shows the total energy calculations of PrCo5 (the optimization was done separately).
DOI: 10.5281/zenodo.2648572
title: 2019 PH Logs backup

description: 2019 PH Logs backup
DOI: 10.17632/nbb2ntpdw5.1
title: Data for: Concept Embedding to Measure Semantic Relatedness for Biomedical Information Ontologies
DOI: 10.17632/tpx6syng6f.1
title: Data for: Reforming the US Senate: Original Intent and Representational Inequality

description: Stata 13 format data of state population and area ratios 1790-2010
DOI: 10.17632/r64v6fzd8w.1
title: Data for: Simulation error in maximum likelihood estimation of discrete choice models

description: Data, Matlab codes and results of the simulations and models presented in the paper.
DOI: 10.17632/xtdv7rtn5h.1
title: Data for: Effect of Multi-functional Amines on SiGe Surface Finish During Chemical Mechanical Polishing.
DOI: 10.25612/837.w86aab1x52be
title: American Community Survey (ACS) 2015 data for Galveston County, Texas, USA

description: Demographic data on education, employment, families, households, housing units, poverty level, public assistance, income, geographic mobility, transportation and travel time to work, and nativity/citizenship. From the ACS 5-year 2001-2015 estimates. Galveston County (TX).
DOI: 10.21979/n9/5ris7r/w0lb1f
title: supplementary.rar

description: Additional files for Computational identification of physicochemical signatures for host tropism of influenza A virus
DOI: 10.3886/e101403v1-11321
title: Achievement Motivation in Its Relation data

description: Objective:
In his writings on positive psychology,
Martin Seligman proposes that failure experiences can promote subsequent
achievement through a desire to compensate for past failures. We hypothesized
that vivid recollections of failure would prove most pronounced among persons
high in achievement motivation (n Ach).
It would be they, we reasoned, who most would be motivated to compensate for past
failure.
DOI: 10.17632/88s9v5bmyj.1
title: Data for: Geochemical characteristics and genesis of pre-salt gases in the Ordos Basin, China

description: Natural gas component and carbon isotope values of natural gas from Upper Paleozoic, Lower Paleozoic post-salt and pre-salt.
DOI: 10.5517/ccdc.csd.cc21kxfz
title: CCDC 1894051: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxg0
title: CCDC 1894052: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxh1
title: CCDC 1894053: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxj2
title: CCDC 1894054: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxk3
title: CCDC 1894055: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxl4
title: CCDC 1894056: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxm5
title: CCDC 1894057: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxn6
title: CCDC 1894058: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxp7
title: CCDC 1894059: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxq8
title: CCDC 1894060: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxr9
title: CCDC 1894061: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxsb
title: CCDC 1894062: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxtc
title: CCDC 1894063: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxvd
title: CCDC 1894064: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxwf
title: CCDC 1894065: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxxg
title: CCDC 1894066: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxyh
title: CCDC 1894067: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21kxzj
title: CCDC 1894068: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21ky0l
title: CCDC 1894069: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21ky1m
title: CCDC 1894070: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21ky2n
title: CCDC 1894071: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.cc21ky3p
title: CCDC 1894072: Experimental Crystal Structure Determination

description: Related Article: Shoko Kikkawa, Hyuma Masu, Kosuke Katagiri, Misaki Okayasu, Kentaro Yamaguchi, Hiroshi Danjo, Masatoshi Kawahata, Masahide Tominaga, Yoshihisa Sei, Hidemasa Hikawa, Isao Azumaya|2019|Cryst.Growth Des.|19|2936|doi:10.1021/acs.cgd.9b00159
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.