cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17614/q4p55f846
title: 2,2,5,5-tetramethylheptan-3-one
DOI: 10.17614/q4q815j49
title: (-)-cyprodime
DOI: 10.17614/q4qn60432
title: (1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)-3-buten-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
DOI: 10.17614/q4qz23718
title: (1S,2S)-1-tert-butoxy-2-methyl-cyclobutane
DOI: 10.17614/q4r49h117
title: (2R,3R)-2-cyclopropyl-3-(2,2-dimethylpropyl)oxirane
DOI: 10.17614/q4rf5m66q
title: 5-iodouridine 5'-(dihydrogen phosphate)
DOI: 10.17614/q4rx9443x
title: 6-(7-chloro-1,8-naphthyridin-2-yl)-1-oxido-7-oxo-2,3,6,7-tetrahydro-5h-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methyl-1-piperazinecarboxylate 4-oxide
DOI: 10.17614/q4st7fp59
title: 4-(2-nitroethyl)phenol
DOI: 10.17614/q4tx35z5d
title: 4,4,5,5-tetramethyloctane
DOI: 10.17614/q4vd6px6x
title: l-isoleucyl-l-prolyl-l-isoleucine
DOI: 10.17614/q4vq2t151
title: (1S,2R)-1-tert-butoxy-2-methyl-cyclobutane
DOI: 10.17614/q4vx06t6p
title: (2R,3S)-2-cyclopropyl-3-(2,2-dimethylpropyl)oxirane
DOI: 10.17614/q4vx06t94
title: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-methyl-1-thioxo-2-isoquinolyl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
DOI: 10.17614/q4w66b11z
title: 9-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)-2-(ethylamino)-3,9-dihydro-6h-purin-6-one
DOI: 10.17614/q4wp9tx6s
title: [dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid
DOI: 10.17614/q4xk85g8z
title: 3-[carbodithioato(cyclohexyl)amino]-2-hydroxy-1-propanesulfonate
DOI: 10.17614/q4zp3wr95
title: diethyldiazene
DOI: 10.17614/q40000r67
title: 6-fluoro-2-methyl-3,5,7,8-tetrahydro-1H-quinoline-2,3,4a,5,6,7,8,8a-octaid-4-one
DOI: 10.17614/q40g3hp2k
title: (2S,3R)-2-cyclohexyl-3-[(1S)-1-methylpropyl]oxirane
DOI: 10.17614/q41c1v73w
title: (2e)-2-[(4-hydroxy-5-nitro-2-furyl)methylene]hydrazinecarboxamide
DOI: 10.17614/q41j9808w
title: 1-[(1S)-2,2-dimethylcyclobutyl]hexane-1-thione
DOI: 10.17614/q42r3pp02
title: (2s)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxy-alpha-l-erythro-hexopyranosyl)-beta-d-threo-hexopyranoside
DOI: 10.17614/q42z13g52
title: (2,6-dinitro-3H-pyridin-1-ium-3-id-5-yl) acetate
DOI: 10.17614/q43776k4h
title: S-methyl (1R,2R)-2-methylcyclobutanecarbothioate
DOI: 10.17614/q43f4mc75
title: (1S,2S)-1-[(Z)-2-cyclobutylvinyl]-2-methyl-cyclobutane
DOI: 10.17614/q43f4mc94
title: ammonium perchlorate
DOI: 10.17614/q43f4mf53
title: 4-oxo-8-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5,6,7-tetrahydro-1H-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
DOI: 10.17614/q43r0qk28
title: (2R)-2-[(R)-propylsulfinyl]butane
DOI: 10.17614/q44747g6q
title: (2S,3R)-2-cyclohexyl-3-[(1R)-1-methylpropyl]oxirane
DOI: 10.17614/q4542k171
title: 14-nitro-BLAHe
DOI: 10.17614/q45718d8c
title: 1-[(1R)-2,2-dimethylcyclobutyl]hexane-1-thione
DOI: 10.17614/q45q4sd0p
title: (2-cyclohexylacetyl) 1-methylcyclobutanecarboxylate
DOI: 10.17614/q46h4dg65
title: narirutin
DOI: 10.17614/q4707xc88
title: S-methyl (1R,2S)-2-methylcyclobutanecarbothioate
DOI: 10.17614/q4765b60f
title: (1S,2R)-1-[(Z)-2-cyclobutylvinyl]-2-methyl-cyclobutane
DOI: 10.17614/q4765b62d
title: leptaglin
DOI: 10.17614/q4765b778
title: 4-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5,6,7-tetrahydro-1H-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
DOI: 10.17614/q47w67z1t
title: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
DOI: 10.17614/q4804z91k
title: (2R,3S)-2-cyclohexyl-3-[(1R)-1-methylpropyl]oxirane
DOI: 10.17614/q4902073m
title: 1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline
DOI: 10.17614/q49g5h63b
title: N-[(1S)-1-methylbutyl]cyclopropanecarboxamide
DOI: 10.17614/q49z91341
title: 2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
DOI: 10.17614/q49z91500
title: 2-[(2-o-benzoyl-beta-d-glucopyranosyl)oxy]-3-hydroxybenzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate
DOI: 10.17614/q4b85490x
title: [(2R,3S,4R,5R)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2S)-2-acetamido-3-phenyl-propanoate
DOI: 10.17614/q4br8n62q
title: 1,1-dimethylpropyl(dimethyl)phosphane
DOI: 10.17614/q4bz62048
title: (1S,2S)-1-[(E)-2-cyclobutylvinyl]-2-methyl-cyclobutane
DOI: 10.17614/q4bz62067
title: (1-methylcyclobutyl) 3,3-dimethylbutanoate
DOI: 10.17614/q4bz6221q
title: n-(3-methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
DOI: 10.17614/q4cn6zr5k
title: 2-bromoethanamine
DOI: 10.17614/q4cr5p36w
title: 2,3-dinitrooxypropyl nitrate
DOI: 10.17614/q4dr2q172
title: 2-[3,6-bis(ethylamino)-2,7-dimethyl-3h-xanthen-9-yl]-5-(6-hydroxyhexylcarbamoyl)benzoic acid
DOI: 10.17614/q4f76707g
title: N-[(1R)-1-methylbutyl]cyclopropanecarboxamide
DOI: 10.17614/q4fq9qw8c
title: 2-[(2r)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
DOI: 10.17614/q4fq9qz4b
title: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-3-yl)acetamide
DOI: 10.17614/q4g15v32q
title: 5-[2-[4-(dimethylcarbamoyl)anilino]-4-methoxy-pyrimidin-5-yl]thiophene-3-carboxylic acid
DOI: 10.17614/q4gh9c07b
title: [(7-nitro-2,3-dioxo-quinoxaline-1,4-diium-5-yl)methylamino]methylphosphonic acid
DOI: 10.17614/q4gh9c11w
title: 2'-deoxy-2'-(fluoromethylene)cytidine
DOI: 10.17614/q4gq6rt06
title: 1-isopentylsulfanyl-1-methyl-cyclobutane
DOI: 10.17614/q4hd7pk19
title: 3,6-dimethyl-1,2-dihydrocyclopenta[ij]tetraphene
DOI: 10.17614/q4jh3dv0x
title: 2-[N-(2-acetoxyethyl)-4-[(E)-(2-chloro-4-nitro-phenyl)azo]-3-(propanoylamino)anilino]ethyl acetate
DOI: 10.17614/q4jw87d92
title: 1-[(R)-2,2-dimethylpropylsulfinyl]-2,2-dimethyl-butane
DOI: 10.17614/q4kh0fq16
title: 4-[[4-(dimethylamino)-3-nitro-phenyl]methyl]-2-phenyl-oxazol-3-ium-5-one
DOI: 10.17614/q4kh0fr81
title: 3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ<sup>6</sup>-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-BLAHcyclohexa-3,4-diene-5,6-dione
DOI: 10.17614/q4ks6jw5n
title: cytenamide
DOI: 10.17614/q4m61cd89
title: (2s)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoic acid
DOI: 10.17614/q4m902t4p
title: 4-ammonio-1-[2-deoxy-2-(fluoromethylene)pentofuranosyl]-2-oxo-1,2-dihydropyrimidin-1-ium
DOI: 10.17614/q4mg7gm5t
title: 1-[(1R)-2,2-dimethylcyclopropyl]-3,3-dimethyl-pentan-1-one
DOI: 10.17614/q4n58dc5f
title: 2-methyl-2-[(R)-methylsulfinyl]butane
DOI: 10.17614/q4p844n42
title: [(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-4-methylselanyl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
DOI: 10.17614/q4pn8z73f
title: 1-[(R)-2,2-dimethylpropylsulfinyl]-2,2-dimethyl-butane
DOI: 10.17614/q4q52g41j
title: butane-1,1,1-triol
DOI: 10.17614/q4q815k38
title: 5-(2-bromovinyl)-1-[(1r,3r,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1h,3h)-pyrimidinedione
DOI: 10.34740/kaggle/dsv/4844292
title: Egypt Gold Prices | Daily Updated
DOI: 10.6084/m9.figshare.21890775
title: Geoid_UMG3.xyz

description: Geoid anomalies offer crucial information on the internal density structure of the Earth, and thus, on its constitution and dynamic state. In order to interpret geoid undulations in terms of depth, magnitude and lateral extension of density anomalies in the lithosphere and upper mantle, the effects of lower mantle density anomalies need to be removed from the full geoid (thus obtaining a residual signal known as the 'upper mantle geoid'). However, how to achieve this seemingly simple filtering exercise has eluded consensus for decades in the solid Earth community. While there is wide agreement regarding the causative masses of degrees &gt; 10 in spherical harmonic expansions of the upper mantle geoid, those contributing to degrees &lt; 7-8 remain ambiguous. Here we use spherical harmonic analysis and recent tomography and density models from joint seismic-geodynamic inversions to derive a representative upper mantle geoid, including the contributions from low harmonic degrees. We show that the upper mantle geoid contains important contributions from degrees 5 and 6 and interpret the causative masses as arising from the coupling between the long-wavelength lithospheric structure and the sublithospheric upper mantle convection pattern, including subducted slabs. Importantly, the contributions from degrees 3 &lt; l &lt; 8 do not show a simple power-law behaviour (e.g. Kaula's rule), which precludes the use of standard filtering techniques in the spectral domain. Our model of the upper mantle geoid will be useful in a wide range of geodynamic and geophysical applications, including the study of i) the thermochemical structure of the lithosphere, ii) dynamic topography and mantle viscosity, iii) the nature of the mechanical coupling of the lithosphere-asthenosphere system and iv) the global state of stress within the lithosphere and its associated hazards.
DOI: 10.5517/ccdc.csd.cc2cptgc
title: CCDC 2195713: Experimental Crystal Structure Determination

description: Related Article: Hua-Jie Jiang, Hendrik D. A. Simon, Elisabeth Irran, Hendrik F. T. Klare, Martin Oestreich|2022|Organometallics|42|48|doi:10.1021/acs.organomet.2c00500
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.cc2594rd
title: CCDC 2004793: Experimental Crystal Structure Determination

description: Related Article: Kriti Pathak, Shivankan Mishra, Chandan Nandi, Suvam Saha, Sundargopal Ghosh|2022|Inorg.Chem.|62|160|doi:10.1021/acs.inorgchem.2c03095
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.cc2bwtxz
title: CCDC 2171702: Experimental Crystal Structure Determination

description: Related Article: Kriti Pathak, Shivankan Mishra, Chandan Nandi, Suvam Saha, Sundargopal Ghosh|2022|Inorg.Chem.|62|160|doi:10.1021/acs.inorgchem.2c03095
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.7530184
title: THSTI IROA CSA reference MSP file created using IDSL.CSA package

description: Raw data from THSTI IROA standards were processed using IDSL.CSA package to create reference MSP file ftp://massive.ucsd.edu/MSV000088661/ ( IROA metabolite standards )
DOI: 10.5281/zenodo.7530183
title: THSTI IROA CSA reference MSP file created using IDSL.CSA package

description: Raw data from THSTI IROA standards were processed using IDSL.CSA package to create reference MSP file ftp://massive.ucsd.edu/MSV000088661/ ( IROA metabolite standards )
DOI: 10.5281/zenodo.7530180
title: Dataset of biocatalyzed reactions

description: Data and results related to the paper Language models can identify enzymatic active sites in protein<br> sequences.
DOI: 10.5281/zenodo.7530179
title: Dataset of biocatalyzed reactions

description: Data and results related to the paper Language models can identify enzymatic active sites in protein<br> sequences.
DOI: 10.5281/zenodo.7530227
title: Known annotations for the ST000923 study

description: Known annotations for the ST000923 study from metabolomics workbench https://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Study&StudyID=ST000923
DOI: 10.5281/zenodo.7530226
title: Known annotations for the ST000923 study

description: Known annotations for the ST000923 study from metabolomics workbench https://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Study&StudyID=ST000923
DOI: 10.5281/zenodo.7530237
title: IDSL.CSA Unique CSA variant spectra for known annotations in the ST000923 study

description: IDSL.CSA Unique CSA variant spectra for known annotations in the ST000923 study
DOI: 10.5281/zenodo.7530236
title: IDSL.CSA Unique CSA variant spectra for known annotations in the ST000923 study

description: IDSL.CSA Unique CSA variant spectra for known annotations in the ST000923 study
DOI: 10.5281/zenodo.7530196
title: Mapping of districts to control zones of German Transmission System Operators (TSOs)

description: <strong>Mapping of districts to control zones of German Transmission System Operators (TSOs)</strong> This dataset provides a mapping of districts in Germany at NUTS3 level to control zones that are maintained by four transmission system operators (50Hertz, Amprion, TenneT, TransnetBW). A visualisation of the mapping is provided it GER_NUTS3_TSOs.png. I can provide no guarantee of the accuracy or completeness of the provided information. In case the control zones of the TSOs change, or an error is detected, I do not assume liability for the error. The output file(s) can also be re-generated with the provided python script (GER_NUTS3_TSOs.py), and manipulated if necessary. In case you detect an error, please reach out to me so we can correct it in order to provide as accurate information as possible. <strong>Licensing</strong> This dataset is created on top of a dataset of German political administrative boundaries at NUTS3 level covering Germany provided by geoBoundaries (DEU_ADM2.shp). geoBoundaries is an online, open license database of global political administrative boundaries (i.e., state, county). For further information, see https://www.geoboundaries.org/. For the processing, I am also using the dataset "Verwaltungsgebiete 1:2500000" (vg_12500.shp) provided by the "Bundesamt für Kartographie und Geodäsie". The dataset is licensed as "Data licence Germany - attribution - version 2.0", and can be retrieved at https://gdz.bkg.bund.de/index.php/default/verwaltungsgebiete-1-2-500-000-stand-31-12-vg2500-12-31.html. A reference to the license is provided under the following link: https://www.govdata.de/dl-de/by-2-0. The files GER_NUTS3_TSOs.png, GER_NUTS3_TSOs.shp, GER_NUTS3_TSOs.shx, GER_NUTS3_TSOs.prj, GER_NUTS3_TSOs.dbf and GER_NUTS3_TSOs.cpg are released under the Creative Commons 4.0 Attribution International (CC BY 4.0). The file GER_NUTS3_TSOs.py is released under a MIT license.
description: {"references": ["https://www.geoboundaries.org/", "https://gdz.bkg.bund.de/index.php/default"]}
DOI: 10.5281/zenodo.7530195
title: Mapping of districts to control zones of German Transmission System Operators (TSOs)

description: <strong>Mapping of districts to control zones of German Transmission System Operators (TSOs)</strong> This dataset provides a mapping of districts in Germany at NUTS3 level to control zones that are maintained by four transmission system operators (50Hertz, Amprion, TenneT, TransnetBW). A visualisation of the mapping is provided it GER_NUTS3_TSOs.png. I can provide no guarantee of the accuracy or completeness of the provided information. In case the control zones of the TSOs change, or an error is detected, I do not assume liability for the error. The output file(s) can also be re-generated with the provided python script (GER_NUTS3_TSOs.py), and manipulated if necessary. In case you detect an error, please reach out to me so we can correct it in order to provide as accurate information as possible. <strong>Licensing</strong> This dataset is created on top of a dataset of German political administrative boundaries at NUTS3 level covering Germany provided by geoBoundaries (DEU_ADM2.shp). geoBoundaries is an online, open license database of global political administrative boundaries (i.e., state, county). For further information, see https://www.geoboundaries.org/. For the processing, I am also using the dataset "Verwaltungsgebiete 1:2500000" (vg_12500.shp) provided by the "Bundesamt für Kartographie und Geodäsie". The dataset is licensed as "Data licence Germany - attribution - version 2.0", and can be retrieved at https://gdz.bkg.bund.de/index.php/default/verwaltungsgebiete-1-2-500-000-stand-31-12-vg2500-12-31.html. A reference to the license is provided under the following link: https://www.govdata.de/dl-de/by-2-0. The files GER_NUTS3_TSOs.png, GER_NUTS3_TSOs.shp, GER_NUTS3_TSOs.shx, GER_NUTS3_TSOs.prj, GER_NUTS3_TSOs.dbf and GER_NUTS3_TSOs.cpg are released under the Creative Commons 4.0 Attribution International (CC BY 4.0). The file GER_NUTS3_TSOs.py is released under a MIT license.
description: {"references": ["https://www.geoboundaries.org/", "https://gdz.bkg.bund.de/index.php/default"]}
DOI: 10.5281/zenodo.7530245
title: IDSL.CSA unique CSA variants for the ST001000 - full deconvolution

description: IDSL.CSA unique CSA variants for the ST001000 - full deconvolution
DOI: 10.5281/zenodo.7530244
title: IDSL.CSA unique CSA variants for the ST001000 - full deconvolution

description: IDSL.CSA unique CSA variants for the ST001000 - full deconvolution
DOI: 10.5519/qd.3lctzpup
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5281/zenodo.7530263
title: IDSL.CSA spectra annotation table for unique CSA variants of ST001000 - against public MS/MS databases

description: IDSL.CSA spectra annotation table for unique CSA variants of ST001000 - against public MS/MS databases
DOI: 10.5281/zenodo.7530262
title: IDSL.CSA spectra annotation table for unique CSA variants of ST001000 - against public MS/MS databases

description: IDSL.CSA spectra annotation table for unique CSA variants of ST001000 - against public MS/MS databases
DOI: 10.5519/qd.jbs0oopb
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (72 records)
DOI: 10.5281/zenodo.7530275
title: IDSL.CSA - metabolomics data matrix for annotated compound using CSA spectra for ST001000 study

description: IDSL.CSA - metabolomics data matrix for annotated compound using CSA spectra for ST001000 study
DOI: 10.5281/zenodo.7530274
title: IDSL.CSA - metabolomics data matrix for annotated compound using CSA spectra for ST001000 study

description: IDSL.CSA - metabolomics data matrix for annotated compound using CSA spectra for ST001000 study
DOI: 10.5281/zenodo.7389845
title: Datasets of the article "Sub-millisecond Photoinduced Dynamics of Free and EL222-bound FMN by Stimulated Raman and Visible Absorption Spectroscopies"

description: Femtosecond-stimulated Raman spectra (FSRS) and visible transient absorption (visTA) spectra of free FMN (flavin mononucleotide), FMN bound to EL222-WT, and FMN bound to EL222-C78A. The dataset includes also the lifetime distributions, decay-associated difference spectra (DADS), and evolution-associated difference spectra (EADS). Please check the README file for more information. If you use any of these data, please cite: Liu, Y.; Chaudhari, A.S.; Chatterjee, A.; Andrikopoulos, P.C.; Picchiotti, A.; Rebarz, M.; Kloz, M.; Lorenz-Fonfria, V.A.; Schneider, B.; Fuertes, G. Sub-Millisecond Photoinduced Dynamics of Free and EL222-Bound FMN by Stimulated Raman and Visible Absorption Spectroscopies. <em>Biomolecules</em> 2023, <em>13</em>, 161. https://doi.org/10.3390/biom13010161
DOI: 10.5281/zenodo.7389844
title: Datasets of the article "Sub-millisecond Photoinduced Dynamics of Free and EL222-bound FMN by Stimulated Raman and Visible Absorption Spectroscopies"

description: Femtosecond-stimulated Raman spectra (FSRS) and visible transient absorption (visTA) spectra of free FMN (flavin mononucleotide), FMN bound to EL222-WT, and FMN bound to EL222-C78A. The dataset includes also the lifetime distributions, decay-associated difference spectra (DADS), and evolution-associated difference spectra (EADS). Please check the README file for more information. If you use any of these data, please cite: Liu, Y.; Chaudhari, A.S.; Chatterjee, A.; Andrikopoulos, P.C.; Picchiotti, A.; Rebarz, M.; Kloz, M.; Lorenz-Fonfria, V.A.; Schneider, B.; Fuertes, G. Sub-Millisecond Photoinduced Dynamics of Free and EL222-Bound FMN by Stimulated Raman and Visible Absorption Spectroscopies. <em>Biomolecules</em> 2023, <em>13</em>, 161. https://doi.org/10.3390/biom13010161
DOI: 10.5281/zenodo.7530302
title: IDSL.CSA spectra annotation table for ST001000 CSA spectra annotated by ST000923 CSA library (reference)

description: IDSL.CSA spectra annotation table for ST001000 CSA spectra annotated by ST000923 CSA library (reference)
DOI: 10.5281/zenodo.7530300
title: IDSL.CSA spectra annotation table for ST001000 CSA spectra annotated by ST000923 CSA library (reference)

description: IDSL.CSA spectra annotation table for ST001000 CSA spectra annotated by ST000923 CSA library (reference)
DOI: 10.5281/zenodo.7530292
title: Investigation via Electron Microscopy and Electrochemical Impedance Spectroscopy of the Effect of Aqueous Zinc Ions on Passivity and the Surface Films of Alloy 600 in PWR PW at 320 C

description: This upload includes the raw EDS data in Bruker Esprit format and the raw EIS data in excel dat format that is presented in the manuscript published in Corrosion and Materials Degradation entitled <em>Investigation via Electron Microscopy and Electrochemical Impedance Spectroscopy of the Effect of Aqueous Zinc Ions on Passivity and the Surface Films of Alloy 600 in PWR PW at 320 C.</em>
DOI: 10.5281/zenodo.7530291
title: Investigation via Electron Microscopy and Electrochemical Impedance Spectroscopy of the Effect of Aqueous Zinc Ions on Passivity and the Surface Films of Alloy 600 in PWR PW at 320 C

description: This upload includes the raw EDS data in Bruker Esprit format and the raw EIS data in excel dat format that is presented in the manuscript published in Corrosion and Materials Degradation entitled <em>Investigation via Electron Microscopy and Electrochemical Impedance Spectroscopy of the Effect of Aqueous Zinc Ions on Passivity and the Surface Films of Alloy 600 in PWR PW at 320 C.</em>
DOI: 10.5281/zenodo.7530310
title: IDSL.CSA annotated compounds for ST001000 study - DDA missed

description: This table has compounds that were annotated using CSA library but were missed by DDA libraries. It suggests that a combined annotation using CSA and DDA libraries can boost the annotation rates for MS1 only data.
DOI: 10.5281/zenodo.7530309
title: IDSL.CSA annotated compounds for ST001000 study - DDA missed

description: This table has compounds that were annotated using CSA library but were missed by DDA libraries. It suggests that a combined annotation using CSA and DDA libraries can boost the annotation rates for MS1 only data.
DOI: 10.6084/m9.figshare.21890670
title: Supplemental dataset: Single nucleotide polymorphisms for creation of polygenic score for early childhood caries.

description: These data are those used to construct a polygenic score for early childhood caries, as originally provided by Haworth et al., and as used in Blostein et al. 2023 (unpublished). <br> For each SNP in the final PGS used in Blostein et al. 2023, this dataset provide the identifier, chromosome, position, weight, and P-value from the base data (available from https://data.bris.ac.uk/datasets/pkqcnil6e9ju2nyreblt3mvwf/summary_statistics/). <br> The base data is a GWAS meta-analysis of 22 European-ancestry cohorts (base data, n=17,666 children) (Haworth et al. 2018). <br> After quality-control, 6,044,259 SNPs overlapped between the base data and COHRA2 (Supplemental Methods). PGSs were calculated at 7 P-value thresholds: 0.001, 0.05, 0.1, 0.2, 0.3, 0.4 and 0.5. We selected the PGS with the best pseudo- R2 measures (Lee et al. 2012) in cross-sectional models regressing prevalent ECC against each PGS, child sex, and the first 5 genetic ancestry PCs. This was the PGS with P-value&lt;0.001 used as cut off.