cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc127cl8
title: CCDC 990189: Experimental Crystal Structure Determination

description: Related Article: Fang Yu,    Yan Wang,    Wencheng Zhu,    Yan Huang,    Minghui Yang,    Hua Ai and    Zhiyun Lu|2014|RSC Advances|4|36849|doi:10.1039/C4RA06834C
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/cc130pld
title: CCDC 1013563: Experimental Crystal Structure Determination

description: Related Article: K. Senthil,    S. Kalainathan,    A. Ruban Kumar and   P. G. Aravindan|2014|RSC Advances|4|56112|doi:10.1039/C4RA09112D
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/cc13b1hz
title: CCDC 1022550: Experimental Crystal Structure Determination

description: Related Article: Qi-Hua You,    Yee Man Lee,    Wing Hong Chan,    Nai Ki Mak,    Albert W. M. Lee,    Sam C. K. Hau and   Thomas C. W. Mak|2015|RSC Advances|5|4099|doi:10.1039/C4RA13445A
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/cc13n4mj
title: CCDC 1032257: Experimental Crystal Structure Determination

description: Related Article: Surjeet Singh,    Rahul Panwar,    Pratik Yadav,    Ismail Althagafi,    Satya Narayan Sahu and    Ramendra Pratap|2015|RSC Advances|5|18335|doi:10.1039/C4RA13612H
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/cc136z09
title: CCDC 1019590: Experimental Crystal Structure Determination

description: Related Article: Dennis Kleeblatt,    Martin Becker,    Michael Plötz,    Madeleine Schönherr,    Alexander Villinger,    Martin Hein,    Jürgen Eberle,    Manfred Kunz,    Qamar Rahman and   Peter Langer|2015|RSC Advances|5|20769|doi:10.1039/C4RA14301A
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/cc144fh6
title: CCDC 1046947: Experimental Crystal Structure Determination

description: Related Article: Surjeet Singh,    Rahul Panwar,    Pratik Yadav,    Ismail Althagafi,    Satya Narayan Sahu and    Ramendra Pratap|2015|RSC Advances|5|18335|doi:10.1039/C4RA13612H
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/ccy57jv
title: CCDC 868977: Experimental Crystal Structure Determination

description: Related Article: Popuri Sureshbabu,    A. A. J. Sudarga Tjakraatmadja,    Chittepu Hanmandlu,    K. Elavarasan,    Nora Kulak and   Shahulhameed Sabiah|2015|RSC Advances|5|22405|doi:10.1039/C4RA15717F
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/ccy57kw
title: CCDC 868978: Experimental Crystal Structure Determination

description: Related Article: Popuri Sureshbabu,    A. A. J. Sudarga Tjakraatmadja,    Chittepu Hanmandlu,    K. Elavarasan,    Nora Kulak and   Shahulhameed Sabiah|2015|RSC Advances|5|22405|doi:10.1039/C4RA15717F
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/cc13qrbx
title: CCDC 1034759: Experimental Crystal Structure Determination

description: Related Article: Elena N. Egorova,    Nikolay O. Druzhkov,    Andrey S. Shavyrin,    Anton V. Cherkasov,    Gleb A. Abakumov and    Alexey Yu Fedorov|2015|RSC Advances|5|19362|doi:10.1039/C4RA15793A
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/ccy593h
title: CCDC 869026: Experimental Crystal Structure Determination

description: Related Article: Popuri Sureshbabu,    A. A. J. Sudarga Tjakraatmadja,    Chittepu Hanmandlu,    K. Elavarasan,    Nora Kulak and   Shahulhameed Sabiah|2015|RSC Advances|5|22405|doi:10.1039/C4RA15717F
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/cc13qrcy
title: CCDC 1034760: Experimental Crystal Structure Determination

description: Related Article: Elena N. Egorova,    Nikolay O. Druzhkov,    Andrey S. Shavyrin,    Anton V. Cherkasov,    Gleb A. Abakumov and    Alexey Yu Fedorov|2015|RSC Advances|5|19362|doi:10.1039/C4RA15793A
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/cc13qrdz
title: CCDC 1034761: Experimental Crystal Structure Determination

description: Related Article: Elena N. Egorova,    Nikolay O. Druzhkov,    Andrey S. Shavyrin,    Anton V. Cherkasov,    Gleb A. Abakumov and    Alexey Yu Fedorov|2015|RSC Advances|5|19362|doi:10.1039/C4RA15793A
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.cc1jygpm
title: CCDC 1428501: Experimental Crystal Structure Determination

description: Related Article: Wen-Ming Wu, Ye Liu, Xu Chen, An Jin, Ming Zhou, Tian Tian, Han-Li Ruan|2016|Fitoterapia|110|123|doi:10.1016/j.fitote.2016.03.008
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/cc147h73
title: CCDC 1049884: Experimental Crystal Structure Determination

description: Related Article: Tao Liu,    Fangjun Huo,    Caixia Yin,    JianFang Li and   Lixi Niu|2015|RSC Advances|5|28713|doi:10.1039/C5RA03011K
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.cc1jygqn
title: CCDC 1428502: Experimental Crystal Structure Determination

description: Related Article: Wen-Ming Wu, Ye Liu, Xu Chen, An Jin, Ming Zhou, Tian Tian, Han-Li Ruan|2016|Fitoterapia|110|123|doi:10.1016/j.fitote.2016.03.008
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/cc1jygsq
title: CCDC 1428504: Experimental Crystal Structure Determination

description: Related Article: Mitsutaka Goto,  Takahiro Konishi,  Shinji Kawaguchi,  Masatoshi Yamada,  Toshiaki Nagata,  and Mitsuhisa Yamano|2011|Org.Process Res.Dev.|15|1178|doi:10.1021/op2001673
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/cc1jygtr
title: CCDC 1428505: Experimental Crystal Structure Determination

description: Related Article: Bhairab Nath Roy,  Girij Pal Singh,  Dhananjai Srivastava,  Harishchandra S. Jadhav,  Manmeet B. Saini and Umesh P. Aher|2009|Org.Process Res.Dev.|13|450|doi:10.1021/op800228h
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/cc1jygvs
title: CCDC 1428506: Experimental Crystal Structure Determination

description: Related Article: Marvin M. Hansen,  Sandra S. K. Borders,  Marcella T. Clayton,  Perry C. Heath,  Stanley P. Kolis,  Samuel D. Larsen,  Ryan J. Linder,  Susan M. Reutzel-Edens,  Justin C. Smith,  Shella L. Tameze,  Jeffrey A. Ward and Leland O. Weigel|2009|Org.Process Res.Dev.|13|198|doi:10.1021/op800243q
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/cc1jygwt
title: CCDC 1428507: Experimental Crystal Structure Determination

description: Related Article: Marvin M. Hansen,  Sandra S. K. Borders,  Marcella T. Clayton,  Perry C. Heath,  Stanley P. Kolis,  Samuel D. Larsen,  Ryan J. Linder,  Susan M. Reutzel-Edens,  Justin C. Smith,  Shella L. Tameze,  Jeffrey A. Ward and Leland O. Weigel|2009|Org.Process Res.Dev.|13|198|doi:10.1021/op800243q
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/cc1jygxv
title: CCDC 1428508: Experimental Crystal Structure Determination

description: Related Article: Michael E. Kopach,  Utpal K. Singh,  Michael E. Kobierski,  William G. Trankle,  Michael M. Murray,  Mark A. Pietz,  Mindy B. Forst and Gregory A. Stephenson|2009|Org.Process Res.Dev.|13|209|doi:10.1021/op800247w
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/cc1jygyw
title: CCDC 1428509: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse,  L. Susanne Huth and Terence L. Threlfall|2009|Org.Process Res.Dev.|13|1231|doi:10.1021/op900169b
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/cc1jygzx
title: CCDC 1428510: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse,  L. Susanne Huth and Terence L. Threlfall|2009|Org.Process Res.Dev.|13|1231|doi:10.1021/op900169b
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/cc1jyh0z
title: CCDC 1428511: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse,  L. Susanne Huth and Terence L. Threlfall|2009|Org.Process Res.Dev.|13|1231|doi:10.1021/op900169b
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/cc1jyh10
title: CCDC 1428512: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse,  L. Susanne Huth and Terence L. Threlfall|2009|Org.Process Res.Dev.|13|1231|doi:10.1021/op900169b
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/cc1jyh21
title: CCDC 1428513: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse,  L. Susanne Huth and Terence L. Threlfall|2009|Org.Process Res.Dev.|13|1231|doi:10.1021/op900169b
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/cc1jyh32
title: CCDC 1428514: Experimental Crystal Structure Determination

description: Related Article: Michael B. Hursthouse,  L. Susanne Huth and Terence L. Threlfall|2009|Org.Process Res.Dev.|13|1231|doi:10.1021/op900169b
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.15470923
title: RSQSim catalogues for the Monte Vettore Fault System (Central Italy)

description: Description

This repository stores the simulated RSQSim earthquake catalogues shown and discussed in the preprint "Coseismic Surface Rupture Probabilities from Earthquake Cycle Simulations: Influence of Fault Geometry".

Version 2 modifies the name of the different models to be consistent with the journal publication.

We provide twelve folders, one for each RSQSim catalogue computed in the article. Each folder contains all input and output files from the RSQSim calculations, including the fault model, input parameter file and resulting catalogue files. The folder names indicate the fault geometric model considered for that catalogue (see article for details). The files contained are:

A. Inputs



paramfile.in: List of input parameter variables required for the RSQSim calculation and calls to the fault model where the simulations will be computed.

Nodes_RSQSim_300.flt: Fault model in a text-based ascii file. Each line of the file corresponds to the info of one element of the triangular mesh that composesthe fault: X,Y,Z of the triangle nodes, fault rake (in degrees), fault slip rate (in m/s) and fault segment and fault IDs (i.e., the fault or segment where that element belongs).

neighbors_300.dat: Text-based ascii file that groups the eight neighboring fault elements to each fault element. The grouping is done by their element ID - i.e., number of row in the fault model.


B. Outputs



eqs.italy.out: Simulated earthquake catalogue in a text-based ascii file. The file stores data for each simulated earthquake including X, Y, Z of the hypocenter, time in the catalogue (in seconds) magnitude (Mw), seismic moment, rupture area and stress drop. At the beginning of the file, the info of all input files described above is also stored.

binary files: These files contain detailed information of each patch during every earthquake in the simulated catalogue, including patches activated during an event (italy.pList), their slip (italy.dList), stress drop (italy.dtauList), time of rupture (italy.tList), and the event ID - i.e., number of row in the catalogue file -  that they belong to (italy.eList), among others.


Funding statement

This research work was funded by the European Commission – NextGenerationEU, through Momentum CSIC Programme: Develop Your Digital Talent (project GDxGT; ref. MMT24-IGME-02), and by the TREAD project (daTa and pRocesses in sEismic hAzarD), funded by the European Union under the programme Horizon Europe: Marie Skłodowska-Curie Actions (MSCA) with grant agreement no. 101072699.

Octavi Gómez-Novell is staff hired under the Generation D initiative, promoted by Red.es, an organisation attached to the Ministry for Digital Transformation and the Civil Service, for the attraction and retention of talent through grants and training contracts, financed by the Recovery, Transformation and Resilience Plan through the European Union's Next Generation funds.
DOI: 10.5281/zenodo.17423514
title: RSQSim catalogues for the Monte Vettore Fault System (Central Italy)

description: Description

This repository stores the simulated RSQSim earthquake catalogues shown and discussed in the preprint "Coseismic Surface Rupture Probabilities from Earthquake Cycle Simulations: Influence of Fault Geometry".

Version 2 modifies the name of the different models to be consistent with the journal publication.

We provide twelve folders, one for each RSQSim catalogue computed in the article. Each folder contains all input and output files from the RSQSim calculations, including the fault model, input parameter file and resulting catalogue files. The folder names indicate the fault geometric model considered for that catalogue (see article for details). The files contained are:

A. Inputs



paramfile.in: List of input parameter variables required for the RSQSim calculation and calls to the fault model where the simulations will be computed.

Nodes_RSQSim_300.flt: Fault model in a text-based ascii file. Each line of the file corresponds to the info of one element of the triangular mesh that composesthe fault: X,Y,Z of the triangle nodes, fault rake (in degrees), fault slip rate (in m/s) and fault segment and fault IDs (i.e., the fault or segment where that element belongs).

neighbors_300.dat: Text-based ascii file that groups the eight neighboring fault elements to each fault element. The grouping is done by their element ID - i.e., number of row in the fault model.


B. Outputs



eqs.italy.out: Simulated earthquake catalogue in a text-based ascii file. The file stores data for each simulated earthquake including X, Y, Z of the hypocenter, time in the catalogue (in seconds) magnitude (Mw), seismic moment, rupture area and stress drop. At the beginning of the file, the info of all input files described above is also stored.

binary files: These files contain detailed information of each patch during every earthquake in the simulated catalogue, including patches activated during an event (italy.pList), their slip (italy.dList), stress drop (italy.dtauList), time of rupture (italy.tList), and the event ID - i.e., number of row in the catalogue file -  that they belong to (italy.eList), among others.


Funding statement

This research work was funded by the European Commission – NextGenerationEU, through Momentum CSIC Programme: Develop Your Digital Talent (project GDxGT; ref. MMT24-IGME-02), and by the TREAD project (daTa and pRocesses in sEismic hAzarD), funded by the European Union under the programme Horizon Europe: Marie Skłodowska-Curie Actions (MSCA) with grant agreement no. 101072699.

Octavi Gómez-Novell is staff hired under the Generation D initiative, promoted by Red.es, an organisation attached to the Ministry for Digital Transformation and the Civil Service, for the attraction and retention of talent through grants and training contracts, financed by the Recovery, Transformation and Resilience Plan through the European Union's Next Generation funds.
DOI: 10.5517/cc1jyh54
title: CCDC 1428516: Experimental Crystal Structure Determination

description: Related Article: Samira Baaziz, Nathalie Bellec, Yann Le Gal, Rachedine Kaoua, Franck Camerel, Saleha Bakhta, Bellara Nedjar-Kolli, Thierry Roisnel, Vincent Dorcet, Olivier Jeannin, Dominique Lorcy|2016|Tetrahedron|72|464|doi:10.1016/j.tet.2015.11.034
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.