cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2cwsqs
title: CCDC 2201456: Experimental Crystal Structure Determination

description: Related Article: Dhananjay Dey, Saikat Seth, T.P. Mohan, Deepak Chopra|2022|J.Mol.Struct.|1273|134380|doi:10.1016/j.molstruc.2022.134380
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.cc2cwsrt
title: CCDC 2201457: Experimental Crystal Structure Determination

description: Related Article: Dhananjay Dey, Saikat Seth, T.P. Mohan, Deepak Chopra|2022|J.Mol.Struct.|1273|134380|doi:10.1016/j.molstruc.2022.134380
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.cc2cwstw
title: CCDC 2201459: Experimental Crystal Structure Determination

description: Related Article: Dhananjay Dey, Saikat Seth, T.P. Mohan, Deepak Chopra|2022|J.Mol.Struct.|1273|134380|doi:10.1016/j.molstruc.2022.134380
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.cc2d9sxf
title: CCDC 2213955: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Murat S.Bozkurt, Edgar Niecke
|2022|CSD Communication|||
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.cc2d9t6r
title: CCDC 2213964: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Sahir Ekici, Edgar Niecke|2022|CSD Communication|||
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.cc2d9tj2
title: CCDC 2213974: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Murat S.Bozkurt, Edgar Niecke
|2022|CSD Communication|||
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.cc2d072r
title: CCDC 2204753: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d074t
title: CCDC 2204755: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d075v
title: CCDC 2204756: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d076w
title: CCDC 2204757: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d077x
title: CCDC 2204758: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d078y
title: CCDC 2204759: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d079z
title: CCDC 2204760: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d073s
title: CCDC 2204754: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d07b0
title: CCDC 2204761: Experimental Crystal Structure Determination

description: Related Article: Leah Webster, Tobias Krämer, F. Mark Chadwick|2022|Dalton Trans.|51|16714|doi:10.1039/D2DT03291K
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.cc2d9wxj
title: CCDC 2214048: Experimental Crystal Structure Determination

description: Related Article: Constantin G. Daniliuc, Doris Wingbermühle, Roland Fröhlich, Gerhard Erker|2022|CSD Communication|||
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.cc2db160
title: CCDC 2214181: Experimental Crystal Structure Determination

description: Related Article: Constantin G. Daniliuc, Jesus Berenguer, Roland Fröhlich, Gerhard Erker|2022|CSD Communication|||
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.cc2db1c5
title: CCDC 2214186: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Murat S.Bozkurt, Edgar Niecke
|2022|CSD Communication|||
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.cc2db1d6
title: CCDC 2214187: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Murat S.Bozkurt, Edgar Niecke
|2022|CSD Communication|||
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.cc2db1kc
title: CCDC 2214192: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Sahir Ekici, Edgar Niecke|2022|CSD Communication|||
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.cc2db2jc
title: CCDC 2214222: Experimental Crystal Structure Determination

description: Related Article: Constantin G. Daniliuc, W. de Lange, Roland Fröhlich, Gerhard Erker|2022|CSD Communication|||
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.cc2db351
title: CCDC 2214242: Experimental Crystal Structure Determination

description: Related Article: Constantin G. Daniliuc, Christian Strauch, Roland Fröhlich, Gerhard Erker|2022|CSD Communication|||
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.cc2db496
title: CCDC 2214277: Experimental Crystal Structure Determination

description: Related Article: Constantin G. Daniliuc, S. Thiele, Roland Fröhlich, Gerhard Erker|2022|CSD Communication|||
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.cc2db4kg
title: CCDC 2214285: Experimental Crystal Structure Determination

description: Related Article: Constantin G. Daniliuc, W.  Stüer, Roland Fröhlich, Gerhard Erker|2022|CSD Communication|||
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: 10.15151/esrf-es-924500961
title: Munich Crystallography BAG

description: The diverse groups of the Munich Crystallography BAG study a far range of subjects, reaching from structural aspects of fundamental cellular processes - such as RNA processing, protein folding and degradation, DNA repair, chromatin remodelling, enzymes - to the design of foldamers. The research groups are located at the LMU and TUM universities in Munich, at the Max-Planck-Institute of Biochemistry, Martinsried, and the Helmholtz Center, Neuherberg. Out-groups are located at the universities in Darmstadt and Ulm, Germany. The research groups use X-ray crystallography, single-particle cryo-EM, SAXS, NMR, Alphafold and HDX and XL-MS mass-spectrometry for structural studies.
DOI: 10.15151/esrf-es-925344069
title: Macromolecular crystallography at the Philipps University Marburg (MarBAG)

description: Located at the Philipps-University-Marburg and the Max-Planck-Institute for terrestrial Microbiology in Marburg, Germany, the MarBAG employs X-ray crystallography to answer fundamental questions involving synthesis and assembly of macromolecular machines and cellular structures (e.g. CO2-fixation pathways, flagellar biosynthesis, CRISPR-Cas Systems, cell-wall-related processes). Our analysis of the structural basis of CO2 fixation and the synthesis of the green-house gas methane will help to engineer these processes as tools in climate control. Furthermore, we are interested in plant-pathogen interactions and the function of nucleotide derived signalling molecules in cellular stress physiology and organization. Currently, a 200 keV cryo-electron microscope is being installed at the UMR to complement our efforts to structurally characterize macromolecular complexes, which do not readily crystallize.
DOI: 10.15151/esrf-es-925650087
title: Macromolecular Crystallography in Bordeaux/Lyon/Toulouse IECB IBGC CBMN / IBCP-MMSB ICBMS / IPBS

description: The different research teams who are part of this BAG are located in Bordeaux, Lyon and Toulouse. They are mainly working on worldwide health concerns or biotechnological relevant projects. In more details, infectiology, molecular assemblies, biosynthetic pathways or glycobiology are their main research axises. Important results have been obtained so far regarding the development of new therapeutic strategies against several infectious diseases or regarding plastic bioremediation. In order to go further into details of all these studies, access to ESRF facilities is a requirement.
DOI: 10.15151/esrf-es-928406531
title: The Israeli BAG

description: The BAG is quite large with 24 principal investigators covering almost all groups in Israel. The scientific topics are diverse and so different that depicting them in a short Abstract is extremely difficult. In this context BAG members are studying the parameters that govern protein assemblage, structural impacts of signaling processes in different cascades. There are several projects that are directed towards molecular recognition with implementation towards drug design. In addition, we still have the ribosome project and the design of unique antibiotics with specific functional interactions from the mycinamycins family and their resistance related mechanism compared with other macrolides and the photosystem and how it converts light into energy. Since Covid-19 is still a relevant topic as are other viral infections BAG members are and have been involved in the understanding of the infection process and the means to hinder it.
DOI: 10.15151/esrf-es-945456058
title: Kinetics of H/He nanobubble formation in Si implanted wafer by XPCS

description: We propose XPCS measurements (transmission geometry) of the atomic diffusion and gas coalescence of H/He implantation in Si to gain insights into the kinetics of the first step of the SmartCutTM process. A study of the characteristic times/activation energies of nanocavities as a function of implantation conditions (H/He ratio and quantities) will be performed to understand these first evolution mechanisms that cannot be obtained by other techniques. Two types of samples will be measured: single implanted wafers and implanted wafer bonded on SiO2/Si to understand the role of a stressor on the bubble and crack formation.
DOI: 10.15151/esrf-es-945457123
title: In situ imaging of Ceramic Matrix Composite interphase failure

description: Fibre reinforced ceramic matrix composites (CMCs) are being investigated as a means of achieving excellent thermomechanical properties at high temperatures for structural applications but with much higher toughness than conventional ceramics. High fracture toughness relies upon energy dissipation during crack propagation and the BN interphase between the SiC fibre and the SiBCN matrix plays a key role. Here we will use fast in situ X-ray tomography on ID19 to reveal the role of the interphase during failure under 3 point-bending and compact tension with the necessary high speed and spatial resolution (2 tomos per second and 1 μm voxel resolution) to quantify the energy absorbing fibre-pull-out mechanisms for the first time. This will enable us to shine new light on the composite design by calculating the energy absorption as a function of interphase strength for the first time as damage progresses.
DOI: 10.15151/esrf-es-945457975
title: Structural analysis of historical materials

description: This proposal aims at implementing a new access route to the ESRF structural analysis capacities for the Heritage Science community. The upgrade to the ESRF-EBS was the triggering element to propose a single block allocation group (BAG). After discussion with multiple interested research teams, it was decided to target two complementary analytical configurations at the ESRF: High angular resolution XRD (ID22) and High lateral resolution XRD (ID13). The combination of these two beamlines generates precious clues on the origin, processing and degradation of historical materials. The new analytical capacities of the EBS, combined with an optimized access route is expected to increase the output of the Cultural Heritage community, to reinforce a scientific network of expert users structured around the ESRF, and to initiate new European collaborations in Heritage Science.
DOI: 10.15151/esrf-es-998664986
title: Check lenses, Test samples, align in EH1

description: 1: Check the focal distance change on the ESRF CRL with upstream lenses 2: 3D XRDCT of Adi's fuel cell sample (YSZ/NI) 3: PCT check of Pedro's sample (inconel) 4: Align the beam in EH1 for next user group (POA)
DOI: 10.6084/m9.figshare.21210845
title: Processed files for library analysis of base editors

description: Analyzed data from Library Analysis of base editors. Raw FASTQs are deposited under PRJNA848090.
DOI: 10.21227/y0ek-1s16
title: An OTDR dataset for optical fiber monitoring

description: The monitored data is obtained using the optical time domain reflectometry (OTDR) principle, which is commonly used for troubleshooting fiber optic cables or links. The data set contains raw OTDR traces that include one or two reflective events caused by the placement of one or two reflectors and/or an open physical contact (PC) at the end of the monitored optical fiber link. The data can be used to solve fiber fault management problems in optical communication systems (e.g., link integrity check, reflective event detection, localization, characterization, and so on).
DOI: 10.6084/m9.figshare.21405671
title: Sound file exemplars of sei whale LF calls and song from Mid-frequency song and low-frequency calls of sei whales in the Falkland Islands

description: A zip file of 22 sound files (.wav format) illustrating exemplars for all calls and song described in the manuscript. All files are labeled for the Figure in which the spectrogram of that specific sound file is presented.
DOI: 10.6084/m9.figshare.21405671.v2
title: Sound file exemplars of sei whale LF calls and song from Mid-frequency song and low-frequency calls of sei whales in the Falkland Islands

description: A zip file of 22 sound files (.wav format) illustrating exemplars for all calls and song described in the manuscript. All files are labeled for the Figure in which the spectrogram of that specific sound file is presented.
DOI: 10.6084/m9.figshare.21405674.v1
title: Supporting data on LF calls and song from Mid-frequency song and low-frequency calls of sei whales in the Falkland Islands

description: An excel file with two database tables of the quantitative measurements made on LF calls, and bouts of song.
DOI: 10.6084/m9.figshare.21405671.v1
title: Sound file exemplars of sei whale LF calls and song from Mid-frequency song and low-frequency calls of sei whales in the Falkland Islands

description: A zip file of 22 sound files (.wav format) illustrating exemplars for all calls and song described in the manuscript. All files are labeled for the Figure in which the spectrogram of that specific sound file is presented.
DOI: 10.6084/m9.figshare.21405674
title: Supporting data on LF calls and song from Mid-frequency song and low-frequency calls of sei whales in the Falkland Islands

description: An excel file with two database tables of the quantitative measurements made on LF calls, and bouts of song.
DOI: 10.6084/m9.figshare.21508062.v2
title: TamburelloLitt_DataTrackingTable_20210217_analysis.xlsx

description: A dataset synthesizing the identity, mechanisms of impact, mechanisms of spread, and magnitude of impacts across 784 unique pairs of invasive species and federally-listed species at risk in British Columbia, Canada, based on a systematic literature review of species at risk documentation.
DOI: 10.57967/hf/0098
title: weedmaps-json
DOI: 10.6084/m9.figshare.21525816.v2
title: Word file S1

description: Specific content of the survey