cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc111gh1
title: CCDC 954722: Experimental Crystal Structure Determination

description: Related Article: Julien Lieffrig ,  Olivier Jeannin ,  and Marc Fourmigué|2013|J.Am.Chem.Soc.|135|6200|doi:10.1021/ja400740v
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.6828871
title: Subset Data 1: 2700 Thoracolumbar Osteo-Ligamentous Spine Virtual FE Meshes (Models 1 to 2700)

description: Subset Data 1: 2700 Thoracolumbar Osteo-Ligamentous Spine Virtual FE Meshes (Models 1 to 2700)



2700 FE input files representing thoracolumbar spine hexahedral models, including point coordinates. To reduce the size of shared virtual finite element (FE) models, only point coordinates are shared here. The mean FE input file "Mean_Model (Template).inp" is also shared, which includes point coordinates, mesh connectivity IDs, and element sets. To generate virtual FE input files, the corresponding shared point coordinates can be replaced into the mean FE input file (Mean_Model (Template).inp). Mesh connectivity IDs, and element sets are the same in all of FE input files. Mean FE input file includes vertebras and IVDs hexahedral meshes; pelvis, sacrum, and the femoral head triangulated meshes; and ligaments. Each point coordinate file is almost 38MB.

An excel file: "Descriptive_List (16807_FE_virtual_models).xlsx" reporting measured spinopelvic parameters for virtual FE hexahedral models. The Excel file includes measured spinopelvic parameters (PI, PT, SS, LL, LL-PI, GT, RPV, RLL, LDI, RSA, TPA, and scoliosis cobb angle), GAP and IVD centric thickness for FE virtual cohort. Model ID in the excel file is correspondent to the model’s name.

One video file: "how_to_replace_point_coordinates.mp4". It shows how you can replace point coordinates here to the mean FE input file "Mean_Model (Template).inp" in order to generate specific FE input file.


Notes:

1- Model number in "Descriptive_List (16807_FE_virtual_models).xlsx" is correspondent to the same model number in the 16807 stereolithography (stl) files (.stl extension) representing the virtual thoracolumbar spine triangulated meshes (DOI: 10.5281/zenodo.8108354; stl.part01.rar to stl.part09.rar).

2-These point coordinates are sampled by combining the first 5 shape modes of the morphed-mesh statistical shape model in which each shape mode is discretized into 7 standard deviations: -3, -2, -1, 0, 1, 2, 3.

3- Generated FE inp files can be opened by Abaqus 2019 and later. Any other FE software which supports .inp extension also can open the files.

Developed by: Morteza Rasouligandomani (Ph.D. in biomedical engineering, Pompeu Fabra university, BCN Med-Tech group, DTIC department, Barcelona, Spain).

Email contact: jerome.noailly@upf.edu
DOI: 10.5517/cc111gj2
title: CCDC 954723: Experimental Crystal Structure Determination

description: Related Article: Valeria Amendola,  Greta Bergamaschi ,  Massimo Boiocchi,  Luigi Fabbrizzi,  and Lorenzo Mosca|2013|J.Am.Chem.Soc.|135|6345|doi:10.1021/ja4019786
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: 10.15468/dl.caqysc
title: Occurrence Download

description: A dataset containing 5367 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rattus rattus",
 "HasCoordinate is true",
 "Country is France"
 ]
}

 The dataset includes 5367 records from 215 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0049263-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc111gk3
title: CCDC 954724: Experimental Crystal Structure Determination

description: Related Article: Valeria Amendola,  Greta Bergamaschi ,  Massimo Boiocchi,  Luigi Fabbrizzi,  and Lorenzo Mosca|2013|J.Am.Chem.Soc.|135|6345|doi:10.1021/ja4019786
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/cc111gl4
title: CCDC 954725: Experimental Crystal Structure Determination

description: Related Article: Valeria Amendola,  Greta Bergamaschi ,  Massimo Boiocchi,  Luigi Fabbrizzi,  and Lorenzo Mosca|2013|J.Am.Chem.Soc.|135|6345|doi:10.1021/ja4019786
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: 10.13140/rg.2.2.16266.79045
title: Helix pomatia tentacles
DOI: 10.5517/cc111gsb
title: CCDC 954731: Experimental Crystal Structure Determination

description: Related Article: Xiao-Li Pei ,  Yang Yang ,  Zhen Lei ,  and Quan-Ming Wang|2013|J.Am.Chem.Soc.|135|6435|doi:10.1021/ja402352c
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: 10.13140/rg.2.2.10853.51689
title: Emys orbicularis watching
DOI: 10.5517/cc111gm5
title: CCDC 954726: Experimental Crystal Structure Determination

description: Related Article: Mikaël Brasse,  Juan Cámpora ,  Jonathan A. Ellman ,  and Robert G. Bergman|2013|J.Am.Chem.Soc.|135|6427|doi:10.1021/ja401561q
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/cc111gtc
title: CCDC 954732: Experimental Crystal Structure Determination

description: Related Article: Xiao-Li Pei ,  Yang Yang ,  Zhen Lei ,  and Quan-Ming Wang|2013|J.Am.Chem.Soc.|135|6435|doi:10.1021/ja402352c
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/cc111gn6
title: CCDC 954727: Experimental Crystal Structure Determination

description: Related Article: Mikaël Brasse,  Juan Cámpora ,  Jonathan A. Ellman ,  and Robert G. Bergman|2013|J.Am.Chem.Soc.|135|6427|doi:10.1021/ja401561q
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/cc111gp7
title: CCDC 954728: Experimental Crystal Structure Determination

description: Related Article: Mikaël Brasse,  Juan Cámpora ,  Jonathan A. Ellman ,  and Robert G. Bergman|2013|J.Am.Chem.Soc.|135|6427|doi:10.1021/ja401561q
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/cc111gq8
title: CCDC 954729: Experimental Crystal Structure Determination

description: Related Article: Mikaël Brasse,  Juan Cámpora ,  Jonathan A. Ellman ,  and Robert G. Bergman|2013|J.Am.Chem.Soc.|135|6427|doi:10.1021/ja401561q
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/cc111gr9
title: CCDC 954730: Experimental Crystal Structure Determination

description: Related Article: Mikaël Brasse,  Juan Cámpora ,  Jonathan A. Ellman ,  and Robert G. Bergman|2013|J.Am.Chem.Soc.|135|6427|doi:10.1021/ja401561q
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/cc11198n
title: CCDC 954560: Experimental Crystal Structure Determination

description: Related Article: Gabriel Ménard ,  Jillian A. Hatnean ,  Hugh J. Cowley ,  Alan J. Lough ,  Jeremy M. Rawson  and Douglas W. Stephan|2013|J.Am.Chem.Soc.|135|6446|doi:10.1021/ja402964h
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/cc11199p
title: CCDC 954561: Experimental Crystal Structure Determination

description: Related Article: Gabriel Ménard ,  Jillian A. Hatnean ,  Hugh J. Cowley ,  Alan J. Lough ,  Jeremy M. Rawson  and Douglas W. Stephan|2013|J.Am.Chem.Soc.|135|6446|doi:10.1021/ja402964h
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/cc1119bq
title: CCDC 954562: Experimental Crystal Structure Determination

description: Related Article: Gabriel Ménard ,  Jillian A. Hatnean ,  Hugh J. Cowley ,  Alan J. Lough ,  Jeremy M. Rawson  and Douglas W. Stephan|2013|J.Am.Chem.Soc.|135|6446|doi:10.1021/ja402964h
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/cc110lrd
title: CCDC 953893: Experimental Crystal Structure Determination

description: Related Article: Masataka Inoue, Tetsuo Iwanaga, Shinji Toyota|2013|Chem.Lett.|42|1499|doi:10.1246/cl.130765
description: Related Article: Masataka Inoue, Tetsuo Iwanaga, Shinji Toyota|2015|Bull.Chem.Soc.Jpn.|88|1591|doi:10.1246/bcsj.20150245
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.10371461
title: Subset Data 1: 2700 Thoracolumbar Osteo-Ligamentous Spine Virtual FE Meshes (Models 1 to 2700)

description: Subset Data 1: 2700 Thoracolumbar Osteo-Ligamentous Spine Virtual FE Meshes (Models 1 to 2700)



2700 FE input files representing thoracolumbar spine hexahedral models, including point coordinates. To reduce the size of shared virtual finite element (FE) models, only point coordinates are shared here. The mean FE input file "Mean_Model (Template).inp" is also shared, which includes point coordinates, mesh connectivity IDs, and element sets. To generate virtual FE input files, the corresponding shared point coordinates can be replaced into the mean FE input file (Mean_Model (Template).inp). Mesh connectivity IDs, and element sets are the same in all of FE input files. Mean FE input file includes vertebras and IVDs hexahedral meshes; pelvis, sacrum, and the femoral head triangulated meshes; and ligaments. Each point coordinate file is almost 38MB.

An excel file: "Descriptive_List (16807_FE_virtual_models).xlsx" reporting measured spinopelvic parameters for virtual FE hexahedral models. The Excel file includes measured spinopelvic parameters (PI, PT, SS, LL, LL-PI, GT, RPV, RLL, LDI, RSA, TPA, and scoliosis cobb angle), GAP and IVD centric thickness for FE virtual cohort. Model ID in the excel file is correspondent to the model’s name.

One video file: "how_to_replace_point_coordinates.mp4". It shows how you can replace point coordinates here to the mean FE input file "Mean_Model (Template).inp" in order to generate specific FE input file.


Notes:

1- Model number in "Descriptive_List (16807_FE_virtual_models).xlsx" is correspondent to the same model number in the 16807 stereolithography (stl) files (.stl extension) representing the virtual thoracolumbar spine triangulated meshes (DOI: 10.5281/zenodo.8108354; stl.part01.rar to stl.part09.rar).

2-These point coordinates are sampled by combining the first 5 shape modes of the morphed-mesh statistical shape model in which each shape mode is discretized into 7 standard deviations: -3, -2, -1, 0, 1, 2, 3.

3- Generated FE inp files can be opened by Abaqus 2019 and later. Any other FE software which supports .inp extension also can open the files.

Developed by: Morteza Rasouligandomani (Ph.D. in biomedical engineering, Pompeu Fabra university, BCN Med-Tech group, DTIC department, Barcelona, Spain).

Email contact: jerome.noailly@upf.edu
DOI: 10.5517/cc1119cr
title: CCDC 954563: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc1119ds
title: CCDC 954564: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc1119ft
title: CCDC 954565: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc1119gv
title: CCDC 954566: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc1119hw
title: CCDC 954567: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc1119jx
title: CCDC 954568: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc111gwf
title: CCDC 954734: Experimental Crystal Structure Determination

description: Related Article: Ansis Maleckis ,  Jeff W. Kampf ,  and Melanie S. Sanford|2013|J.Am.Chem.Soc.|135|6618|doi:10.1021/ja401557m
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/cc1119ky
title: CCDC 954569: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc111gxg
title: CCDC 954735: Experimental Crystal Structure Determination

description: Related Article: Ansis Maleckis ,  Jeff W. Kampf ,  and Melanie S. Sanford|2013|J.Am.Chem.Soc.|135|6618|doi:10.1021/ja401557m
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/cc1119lz
title: CCDC 954570: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc1119m0
title: CCDC 954571: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc111gyh
title: CCDC 954736: Experimental Crystal Structure Determination

description: Related Article: Ansis Maleckis ,  Jeff W. Kampf ,  and Melanie S. Sanford|2013|J.Am.Chem.Soc.|135|6618|doi:10.1021/ja401557m
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/cc1119n1
title: CCDC 954572: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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/cc111gzj
title: CCDC 954737: Experimental Crystal Structure Determination

description: Related Article: Ansis Maleckis ,  Jeff W. Kampf ,  and Melanie S. Sanford|2013|J.Am.Chem.Soc.|135|6618|doi:10.1021/ja401557m
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/cc1119p2
title: CCDC 954573: Experimental Crystal Structure Determination

description: Related Article: Xin Xu ,  Gerald Kehr ,  Constantin G. Daniliuc ,  and Gerhard Erker|2013|J.Am.Chem.Soc.|135|6465|doi:10.1021/ja3110076
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.