cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2kwfxt
title: CCDC 2379867: Experimental Crystal Structure Determination

description: Related Article: Sebastian Ahrens, Rafa Kusy, Anke Spannenberg, Thanh H. Vuong, Jabor Rabeah, Bernhard M. E. Russbueldt, Johannes Panten, Haijun Jiao, Kathrin Junge, Matthias Beller|2025|J.Am.Chem.Soc.|147|31859|doi:10.1021/jacs.5c09017
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.cc2kwfyv
title: CCDC 2379868: Experimental Crystal Structure Determination

description: Related Article: Sebastian Ahrens, Rafa Kusy, Anke Spannenberg, Thanh H. Vuong, Jabor Rabeah, Bernhard M. E. Russbueldt, Johannes Panten, Haijun Jiao, Kathrin Junge, Matthias Beller|2025|J.Am.Chem.Soc.|147|31859|doi:10.1021/jacs.5c09017
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.cc2kwfzw
title: CCDC 2379869: Experimental Crystal Structure Determination

description: Related Article: Sebastian Ahrens, Rafa Kusy, Anke Spannenberg, Thanh H. Vuong, Jabor Rabeah, Bernhard M. E. Russbueldt, Johannes Panten, Haijun Jiao, Kathrin Junge, Matthias Beller|2025|J.Am.Chem.Soc.|147|31859|doi:10.1021/jacs.5c09017
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: 10.25505/fiz.icsd.cc2kwgsq
title: CSD 2379894: Experimental Crystal Structure Determination

description: Related Article: Yunping Zhoujin, Hunter B. Tisdale, Navindra Keerthisinghe, Gregory Morrison, Mark D. Smith, Joke Hadermann, Theodore M. Besmann, Jake Amoroso, Hans-Conrad zur Loye|2025|Sci. Adv.|11|eadt3518|doi:10.1126/sciadv.adt3518
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kwg0y
title: CCDC 2379870: Experimental Crystal Structure Determination

description: Related Article: Sebastian Ahrens, Rafa Kusy, Anke Spannenberg, Thanh H. Vuong, Jabor Rabeah, Bernhard M. E. Russbueldt, Johannes Panten, Haijun Jiao, Kathrin Junge, Matthias Beller|2025|J.Am.Chem.Soc.|147|31859|doi:10.1021/jacs.5c09017
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: 10.25505/fiz.icsd.cc2kwgtr
title: CSD 2379895: Experimental Crystal Structure Determination

description: Related Article: Yunping Zhoujin, Hunter B. Tisdale, Navindra Keerthisinghe, Gregory Morrison, Mark D. Smith, Joke Hadermann, Theodore M. Besmann, Jake Amoroso, Hans-Conrad zur Loye|2025|Sci. Adv.|11|eadt3518|doi:10.1126/sciadv.adt3518
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2kwgvs
title: CSD 2379896: Experimental Crystal Structure Determination

description: Related Article: Yunping Zhoujin, Hunter B. Tisdale, Navindra Keerthisinghe, Gregory Morrison, Mark D. Smith, Joke Hadermann, Theodore M. Besmann, Jake Amoroso, Hans-Conrad zur Loye|2025|Sci. Adv.|11|eadt3518|doi:10.1126/sciadv.adt3518
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kwhlk
title: CCDC 2379919: Experimental Crystal Structure Determination

description: Related Article: Ahmed K. Hijazi, Qusai M. Sarayrah, Abdelrahman W. Malkawi, Hassan Abul-Futouh, Ziyad A. Taha, Deeb Taher, Osama H. Abusara, Ahmad Q. Daraosheh, Ahmad A. L. Ahmad, Waleed M. Al-Momani|2025|ACS Omega|10|43719|doi:10.1021/acsomega.5c03898
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.cc2kwhml
title: CCDC 2379920: Experimental Crystal Structure Determination

description: Related Article: Ahmed K. Hijazi, Qusai M. Sarayrah, Abdelrahman W. Malkawi, Hassan Abul-Futouh, Ziyad A. Taha, Deeb Taher, Osama H. Abusara, Ahmad Q. Daraosheh, Ahmad A. L. Ahmad, Waleed M. Al-Momani|2025|ACS Omega|10|43719|doi:10.1021/acsomega.5c03898
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.cc2kwhnm
title: CCDC 2379921: Experimental Crystal Structure Determination

description: Related Article: Ahmed K. Hijazi, Qusai M. Sarayrah, Abdelrahman W. Malkawi, Hassan Abul-Futouh, Ziyad A. Taha, Deeb Taher, Osama H. Abusara, Ahmad Q. Daraosheh, Ahmad A. L. Ahmad, Waleed M. Al-Momani|2025|ACS Omega|10|43719|doi:10.1021/acsomega.5c03898
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.cc2kwhpn
title: CCDC 2379922: Experimental Crystal Structure Determination

description: Related Article: Ahmed K. Hijazi, Qusai M. Sarayrah, Abdelrahman W. Malkawi, Hassan Abul-Futouh, Ziyad A. Taha, Deeb Taher, Osama H. Abusara, Ahmad Q. Daraosheh, Ahmad A. L. Ahmad, Waleed M. Al-Momani|2025|ACS Omega|10|43719|doi:10.1021/acsomega.5c03898
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.cc2kwhqp
title: CCDC 2379923: Experimental Crystal Structure Determination

description: Related Article: Ahmed K. Hijazi, Qusai M. Sarayrah, Abdelrahman W. Malkawi, Hassan Abul-Futouh, Ziyad A. Taha, Deeb Taher, Osama H. Abusara, Ahmad Q. Daraosheh, Ahmad A. L. Ahmad, Waleed M. Al-Momani|2025|ACS Omega|10|43719|doi:10.1021/acsomega.5c03898
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.cc2kwhrq
title: CCDC 2379924: Experimental Crystal Structure Determination

description: Related Article: Ahmed K. Hijazi, Qusai M. Sarayrah, Abdelrahman W. Malkawi, Hassan Abul-Futouh, Ziyad A. Taha, Deeb Taher, Osama H. Abusara, Ahmad Q. Daraosheh, Ahmad A. L. Ahmad, Waleed M. Al-Momani|2025|ACS Omega|10|43719|doi:10.1021/acsomega.5c03898
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.cc2kwhyx
title: CCDC 2379930: Experimental Crystal Structure Determination

description: Related Article: Yan Jiang, Hao-Jie Ma, Chen-Ying Zhai, Xue-Long Wang, Yi Yang|2025|Asian J.Org.Chem|14|e202400452|doi:10.1002/ajoc.202400452
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.cc2kwk01
title: CCDC 2379963: Experimental Crystal Structure Determination

description: Related Article: Yeting Zhang, Xinye Huang, Xinming Song, Xuan Li, Jinlong Zhang, Ming Chen, Zhengyi Shi, Binbin Song, Wei Wei, Changxing Qi, Yonghui Zhang|2025|Bioorg.Chem.|157|108303|doi:10.1016/j.bioorg.2025.108303
description: Related Article: Yeting Zhang, Xinye Huang, Xinming Song, Xuan Li, Jinlong Zhang, Ming Chen, Zhengyi Shi, Binbin Song, Wei Wei, Changxing Qi, Yonghui Zhang|2025|Bioorg.Chem.|157|108303|doi:10.1016/j.bioorg.2025.108303
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.cc2kwk34
title: CCDC 2379966: Experimental Crystal Structure Determination

description: Related Article: Gayathri Krishnan, Aathira Edwin, Muniappan Kalipriyadharshini, Achsah Anna, Shanmugam Easwaramoorthi, Sabapathi Gokulnath|2024|Org.Lett.|27|298|doi:10.1021/acs.orglett.4c04329
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.cc2kwk45
title: CCDC 2379967: Experimental Crystal Structure Determination

description: Related Article: Gayathri Krishnan, Aathira Edwin, Muniappan Kalipriyadharshini, Achsah Anna, Shanmugam Easwaramoorthi, Sabapathi Gokulnath|2024|Org.Lett.|27|298|doi:10.1021/acs.orglett.4c04329
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.cc2kg4ry
title: CCDC 2367090: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kpbqb
title: CCDC 2374002: Experimental Crystal Structure Determination

description: Related Article: Yoshifumi Toyama,  Akiko Yagi,  Kenichiro Itami,  Hideto Ito|2025|Nat.Commun.|16|5044|doi:10.1038/s41467-025-60318-y
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.cc2kwkkl
title: CCDC 2379980: Experimental Crystal Structure Determination

description: Related Article: Jian-Di Lin, Fa-Kun Zheng|2025|J.Mol.Struct.|1322|140547|doi:10.1016/j.molstruc.2024.140547
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.cc2kfd0f
title: CCDC 2366354: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kwklm
title: CCDC 2379981: Experimental Crystal Structure Determination

description: Related Article: Jin Iwasaki, Tomoyuki Toda, Ayana Wakatsuki, Shun Ohta, Kei Nishii, Yoshihiro Matano, Katsuhiko Takenaka|2025|Appl.Organomet.Chem.|39|e7928|doi:10.1002/aoc.7928
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.cc2kfcyb
title: CCDC 2366352: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kccp0
title: CCDC 2364422: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kpbrc
title: CCDC 2374003: Experimental Crystal Structure Determination

description: Related Article: Yoshifumi Toyama,  Akiko Yagi,  Kenichiro Itami,  Hideto Ito|2025|Nat.Commun.|16|5044|doi:10.1038/s41467-025-60318-y
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.cc2kcb8k
title: CCDC 2364378: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kcbjt
title: CCDC 2364386: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kcb3d
title: CCDC 2364373: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kcb4f
title: CCDC 2364374: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kc9t2
title: CCDC 2364364: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kc9w4
title: CCDC 2364366: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kc9r0
title: CCDC 2364362: Experimental Crystal Structure Determination

description: Related Article: Ren-Fei Cao, Ruirui Su, Zheng-Wei Wei, Ze-Long Li, Deng Zhu, Yu-Xuan Huo, Xiao-Song Xue, Zhi-Min Chen|2025|Nat.Commun.|16|2147|doi:10.1038/s41467-025-57381-w
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.cc2kwmsw
title: CCDC 2380049: Experimental Crystal Structure Determination

description: Related Article: Satoshi Takebayashi, Jama Ariai, Sergey V. Kartashov, Robert R. Fayzullin, Tomoko Onoue, Ko Mibu, Hyung-Been Kang, Noriko Ishizu |2025|Nat.Commun.|16|6124|doi:10.1038/s41467-025-61343-7
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.cc2kwmtx
title: CCDC 2380050: Experimental Crystal Structure Determination

description: Related Article: Satoshi Takebayashi, Jama Ariai, Sergey V. Kartashov, Robert R. Fayzullin, Tomoko Onoue, Ko Mibu, Hyung-Been Kang, Noriko Ishizu |2025|Nat.Commun.|16|6124|doi:10.1038/s41467-025-61343-7
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.