cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2nw670
title: CCDC 2469002: Experimental Crystal Structure Determination

description: Related Article: Ammundi Jayavel Chirranjeevi Padmashrija, Raman Kavitha Preethi, Sathananthan Kannadasan, Ponnusamy Shanmugam|2026|ACS Omega|11|10181|doi:10.1021/acsomega.5c11174
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.cc2nw692
title: CCDC 2469004: Experimental Crystal Structure Determination

description: Related Article: Ammundi Jayavel Chirranjeevi Padmashrija, Raman Kavitha Preethi, Sathananthan Kannadasan, Ponnusamy Shanmugam|2026|ACS Omega|11|10181|doi:10.1021/acsomega.5c11174
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.cc2p6p4r
title: CCDC 2479074: Experimental Crystal Structure Determination

description: Related Article: Nina Podjed Rihtaršič, Romana Cerc Korošec, Barbara Modec
|2026|ACS Omega|11|10614|doi:10.1021/acsomega.5c12211
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.cc2prts2
title: CCDC 2495555: Experimental Crystal Structure Determination

description: Related Article: Renata Layse G. De Paula, Vitor S. Duarte, Giulio D. C. D’Oliveira, Mirian R. C. De Castro, Caridad N. Pérez, Jean M. F. Custódio, Allen G. Oliver, Hamilton B. Napolitano|2026|ACS Omega|11|10269|doi:10.1021/acsomega.5c11439
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.cc2psd0x
title: CCDC 2496089: Experimental Crystal Structure Determination

description: Related Article: Ammundi Jayavel Chirranjeevi Padmashrija, Raman Kavitha Preethi, Sathananthan Kannadasan, Ponnusamy Shanmugam|2026|ACS Omega|11|10181|doi:10.1021/acsomega.5c11174
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.cc2q10zs
title: CCDC 2503435: Experimental Crystal Structure Determination

description: Related Article: Imogen Squire,  Matthew de Vere-Tucker,  Michelangelo Tritto,  Lygia Silva de Moraes,  Tobias Krämer,  Clare Bakewell|2026|Nat.Commun.|||doi:10.1038/s41467-026-68432-1
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.cc2q10ph
title: CCDC 2503426: Experimental Crystal Structure Determination

description: Related Article: Yan Cha,  Zhaoziyuan Yang,  Xiao Zhuang,  Pengyu Gao,  Tingting Liu,  Fei Luo,  Xianjia Ni,  Qing Luo,  Wei Lu|2026|Nat.Commun.|||doi:10.1038/s41467-026-69118-4
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.cc2q10qj
title: CCDC 2503427: Experimental Crystal Structure Determination

description: Related Article: Yan Cha,  Zhaoziyuan Yang,  Xiao Zhuang,  Pengyu Gao,  Tingting Liu,  Fei Luo,  Xianjia Ni,  Qing Luo,  Wei Lu|2026|Nat.Commun.|||doi:10.1038/s41467-026-69118-4
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.cc2q10rk
title: CCDC 2503428: Experimental Crystal Structure Determination

description: Related Article: Yan Cha,  Zhaoziyuan Yang,  Xiao Zhuang,  Pengyu Gao,  Tingting Liu,  Fei Luo,  Xianjia Ni,  Qing Luo,  Wei Lu|2026|Nat.Commun.|||doi:10.1038/s41467-026-69118-4
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.cc2q10sl
title: CCDC 2503429: Experimental Crystal Structure Determination

description: Related Article: Yan Cha,  Zhaoziyuan Yang,  Xiao Zhuang,  Pengyu Gao,  Tingting Liu,  Fei Luo,  Xianjia Ni,  Qing Luo,  Wei Lu|2026|Nat.Commun.|||doi:10.1038/s41467-026-69118-4
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.cc2q10tm
title: CCDC 2503430: Experimental Crystal Structure Determination

description: Related Article: Yan Cha,  Zhaoziyuan Yang,  Xiao Zhuang,  Pengyu Gao,  Tingting Liu,  Fei Luo,  Xianjia Ni,  Qing Luo,  Wei Lu|2026|Nat.Commun.|||doi:10.1038/s41467-026-69118-4
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.cc2p6p3q
title: CCDC 2479073: Experimental Crystal Structure Determination

description: Related Article: Nina Podjed Rihtaršič, Romana Cerc Korošec, Barbara Modec
|2026|ACS Omega|11|10614|doi:10.1021/acsomega.5c12211
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.cc2q1hkv
title: CCDC 2503887: Experimental Crystal Structure Determination

description: Related Article: Chandan Mallikarjuna, Udaya Kumar AH, Karthik Kumara, Pradeep M Uppar, Raghavendra Mylarappa, Neratur Krishnappagowda Lokanath, Kariyappa Ajay Kumar||J.Mol.Struct.|||doi:10.1016/j.molstruc.2026.145598
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.cc2q39kq
title: CCDC 2505623: Experimental Crystal Structure Determination

description: Related Article: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Peter R. Schreiner, Mark Gandelman
|2026|ChemRxiv|||doi:10.26434/chemrxiv-2026-18cn1
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.cc2q39lr
title: CCDC 2505624: Experimental Crystal Structure Determination

description: Related Article: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Peter R. Schreiner, Mark Gandelman
|2026|ChemRxiv|||doi:10.26434/chemrxiv-2026-18cn1
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.cc2q39ms
title: CCDC 2505625: Experimental Crystal Structure Determination

description: Related Article: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Peter R. Schreiner, Mark Gandelman
|2026|ChemRxiv|||doi:10.26434/chemrxiv-2026-18cn1
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: 10.57745/e4cteu
title: MTBLS10568: EFFECT OF DIFFERENT POOLED QC SAMPLES ON DATA QUALITY DURING AN INTER-BATCH EXPERIMENT IN UNTARGETED UHPLC-HRMS ANALYSIS ON TWO DIFFERENT MS PLATFORMS

description: Quality control (QC) samples are commonly used in metabolomics approaches for three main reasons: (i) the initial conditioning of the column; (ii) the correction of analytical drift especially between batches; and (iii) the evaluation of measurement precision. In practice there are several ways to prepare and conserve QC samples. The most common in untargeted metabolomics is to pool samples after or before extraction, in order to obtain pooled QC samples accounting respectively for analytical variance or for both analytical and sample preparation variances. In this study, focusing on untargeted analysis of tea (Camellia sinensis) leaves, we compared three ways of preparing pooled QC samples (two usual and one unusual QC sample preparations) and their efficiency to improve data quality in terms of inter-batch correction, measurement precision, and VIP candidates selection on datasets obtained using two mass spectrometry (MS) technologies (Orbitrap and time of flight (QToF)). We also investigated the effect of data processing modalities, based on the different QC preparations, on data loss and on the global structure of the datasets. Generally, our results show that usual QC sample preparation leads to comparable datasets quality in terms of precision and dispersion in both MS instruments. They also show that QC preparation is crucial for VIP selection, in fact, up to 54% of biomarkers candidates are specific of the QC preparation type used for data processing.
DOI: 10.5517/ccdc.csd.cc2q39nt
title: CCDC 2505626: Experimental Crystal Structure Determination

description: Related Article: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Peter R. Schreiner, Mark Gandelman
|2026|ChemRxiv|||doi:10.26434/chemrxiv-2026-18cn1
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.cc2q39pv
title: CCDC 2505627: Experimental Crystal Structure Determination

description: Related Article: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Peter R. Schreiner, Mark Gandelman
|2026|ChemRxiv|||doi:10.26434/chemrxiv-2026-18cn1
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.cc2q39qw
title: CCDC 2505628: Experimental Crystal Structure Determination

description: Related Article: Aleksandr Koronatov, Pavel Sakharov, Alexander Kaushansky, Natalia Fridman, Peter R. Schreiner, Mark Gandelman
|2026|ChemRxiv|||doi:10.26434/chemrxiv-2026-18cn1
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.cc2pqh20
title: CCDC 2494262: Experimental Crystal Structure Determination

description: Related Article: Tobias Tröster, Koushik Saha, Dipak Kumar Roy, Rian D. Dewhurst, Holger Braunschweig|2026|Chem.Commun.|||doi:10.1039/d5cc05783c
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.cc2pjz8h
title: CCDC 2488967: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.cc2pjzgp
title: CCDC 2488973: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.cc2pjzrz
title: CCDC 2488982: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.cc2pk07j
title: CCDC 2488997: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.cc2pk0fq
title: CCDC 2489003: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.8xwsek
title: Occurrence Download

description: A dataset containing 28905 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Acer pensylvanicum",
 "HasCoordinate is true"
 ]
}

 The dataset includes 28905 records from 168 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027511-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2q3q7t
title: CCDC 2506016: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.cc2lnrxy
title: CCDC 2403241: Experimental Crystal Structure Determination

description: Related Article: Shuang Gao, Zhen-Wen Wang, Guo-Yu Yang|2026|Dalton Trans.|||doi:10.1039/d5dt03040d
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.cc2pk0lw
title: CCDC 2489008: Experimental Crystal Structure Determination

description: Related Article: Dianjun Guo, Songshan Dai, Dongjing Hong, Zeming Huang, Weigang Wang, Shuangliu Zhou, Jun Zhu, Xiancui Zhu, Shaowu Wang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19265
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.cc2qb2w1
title: CCDC 2512143: Experimental Crystal Structure Determination

description: Related Article: Ian Colliard, Gauthier J.-P. Deblonde|2026|Chem.Commun.|62|4018|doi:10.1039/d5cc06999h
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: 10.60635/c3qk8b
title: Bay of Panama Water Quality Monitoring Project_Chlorophyll

description: Bay of Panama water quality monitoring program.
 Initiated July 2017
 Chlorophyll & Blue-green algae measurements for all stations, Single station measured parameters include temperature, salinity, conductivity, pH, turbidity, chlorophyll, and dissolved oxygen.
 Depth profiles at 7 locations. Approximately 5m depth intervals
 Sampling Sites
 1 8° 38.743'N 79° 2.887'W
 2 8° 42.498'N 78° 57.855'W
 3 8° 41.894'N 79° 9.648'W
 4 8° 44.138'N 79° 15.955'W
 5 8° 45.670'N 79° 21.906'W
 6 8° 47.078'N 79° 27.968'W
 7 8° 51.308'N 79° 28.162'W
 Weekly depth profile (approximately 5m intervals) using YSI EXO 2 sonde.
 Historical data can be located here: https://smithsonian.figshare.com/articles/dataset/Bay_of_Panama_Water_Quality_Monitoring_Project_Chlorophyll_all_stations/10042700
DOI: 10.5517/ccdc.csd.cc2qb2x2
title: CCDC 2512144: Experimental Crystal Structure Determination

description: Related Article: Ian Colliard, Gauthier J.-P. Deblonde|2026|Chem.Commun.|62|4018|doi:10.1039/d5cc06999h
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.cc2qb2y3
title: CCDC 2512145: Experimental Crystal Structure Determination

description: Related Article: Ian Colliard, Gauthier J.-P. Deblonde|2026|Chem.Commun.|62|4018|doi:10.1039/d5cc06999h
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.cc2qb2z4
title: CCDC 2512146: Experimental Crystal Structure Determination

description: Related Article: Ian Colliard, Gauthier J.-P. Deblonde|2026|Chem.Commun.|62|4018|doi:10.1039/d5cc06999h
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.