cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7294/22718026.v2
title: Numerical Modeling and Data-Worth Analysis for Characterizing the Architecture and Dissolution Rates of a Multicomponent DNAPL Source

description: A numerical solute transport model was calibrated to a high-resolution monitoring dataset to characterize a multicomponent source of nonaqueous phase liquids (NAPLs) and evaluate the uncertainty of estimated parameters. The dissolution of NAPL mass was simulated using SEAM3D with parameter zones including adjustable NAPL saturations and mass transfer coefficients, representing the heterogenous architecture of the source zone. Source zone parameters were simultaneously estimated using PEST from aqueous-phase concentrations measured in a multilevel monitoring transect and from mass recovery rates measured at extraction wells during a controlled field experiment. Data-worth analyses, facilitated by PEST ancillary software, linked maximum aqueous-phase concentrations of all compounds to reductions in the pre-calibration uncertainty of mass transfer coefficients. In turn, decreasing concentrations of the most soluble NAPL fraction constrained the source mass estimation. The accurate estimation of model parameters was possible by removing concentrations measured during early NAPL dissolution stages, identified as drivers of model bias using the iterative ensemble smoother PESTPP-iES. Although uncertainty analyses highlighted model limitations for representing sub-grid-scale heterogeneity of NAPL distribution and mass transfer rates, final stages of NAPL dissolution measured at multilevel ports eliminated parameter bias and produced long-term projections of multi-stage source zone depletion. Including mass discharge rates for model calibration further improved the accuracy of estimated residual source mass, complementing multilevel monitoring constraints on the saturation distribution and mass transfer coefficients.
DOI: 10.7294/22718026
title: Numerical Modeling and Data-Worth Analysis for Characterizing the Architecture and Dissolution Rates of a Multicomponent DNAPL Source

description: A numerical solute transport model was calibrated to a high-resolution monitoring dataset to characterize a multicomponent source of nonaqueous phase liquids (NAPLs) and evaluate the uncertainty of estimated parameters. The dissolution of NAPL mass was simulated using SEAM3D with parameter zones including adjustable NAPL saturations and mass transfer coefficients, representing the heterogenous architecture of the source zone. Source zone parameters were simultaneously estimated using PEST from aqueous-phase concentrations measured in a multilevel monitoring transect and from mass recovery rates measured at extraction wells during a controlled field experiment. Data-worth analyses, facilitated by PEST ancillary software, linked maximum aqueous-phase concentrations of all compounds to reductions in the pre-calibration uncertainty of mass transfer coefficients. In turn, decreasing concentrations of the most soluble NAPL fraction constrained the source mass estimation. The accurate estimation of model parameters was possible by removing concentrations measured during early NAPL dissolution stages, identified as drivers of model bias using the iterative ensemble smoother PESTPP-iES. Although uncertainty analyses highlighted model limitations for representing sub-grid-scale heterogeneity of NAPL distribution and mass transfer rates, final stages of NAPL dissolution measured at multilevel ports eliminated parameter bias and produced long-term projections of multi-stage source zone depletion. Including mass discharge rates for model calibration further improved the accuracy of estimated residual source mass, complementing multilevel monitoring constraints on the saturation distribution and mass transfer coefficients.
DOI: 10.7294/22718026.v1
title: Numerical Modeling and Data-Worth Analysis for Characterizing the Architecture and Dissolution Rates of a Multicomponent DNAPL Source

description: A numerical solute transport model was calibrated to a high-resolution monitoring dataset to characterize a multicomponent source of nonaqueous phase liquids (NAPLs) and evaluate the uncertainty of estimated parameters. The dissolution of NAPL mass was simulated using SEAM3D with parameter zones including adjustable NAPL saturations and mass transfer coefficients, representing the heterogenous architecture of the source zone. Source zone parameters were simultaneously estimated using PEST from aqueous-phase concentrations measured in a multilevel monitoring transect and from mass recovery rates measured at extraction wells during a controlled field experiment. Data-worth analyses, facilitated by PEST ancillary software, linked maximum aqueous-phase concentrations of all compounds to reductions in the pre-calibration uncertainty of mass transfer coefficients. In turn, decreasing concentrations of the most soluble NAPL fraction constrained the source mass estimation. The accurate estimation of model parameters was possible by removing concentrations measured during early NAPL dissolution stages, identified as drivers of model bias using the iterative ensemble smoother PESTPP-iES. Although uncertainty analyses highlighted model limitations for representing sub-grid-scale heterogeneity of NAPL distribution and mass transfer rates, final stages of NAPL dissolution measured at multilevel ports eliminated parameter bias and produced long-term projections of multi-stage source zone depletion. Including mass discharge rates for model calibration further improved the accuracy of estimated residual source mass, complementing multilevel monitoring constraints on the saturation distribution and mass transfer coefficients.
DOI: 10.6084/m9.figshare.20797151
title: Origin and palaeodepositional environment of evaporites in the Bala sub-basin, Central Anatolia, Türkiye

description: Bala is located in Central Anatolia and is a sub-basin of the Tuzgölü basin, which consists of many basins formed in response to the closure of the Neotethys ocean. The evaporites in Bala sub-basin formed under the influence of regional uplifting during the Middle Eocene period with gradual shallowing in response to the structural compressional regime. The Bala sub-basin comprises four units from bottom to top: the Lower Unit (BU1) consisting of mudstone, claystone with limestone layers; the Evaporites (BU2) containing dominant gypsum with anhydrite; mixed siliciclastic-carbonate-evaporitic deposits (BU3); and the Upper Unit (BU4) containing conglomerate-sandstone-claystone and siltstones. The evaporitic unit, which are the main subject of study consists of primary selenitic gypsum, anhydrite, locally celestite crystals and secondary gypsum formed due to the anhydritization of primary gypsum and then hydration of these anhydrites. The results obtained from mineralogical-petrographic, geochemical and isotopic (δ<sup>18</sup>O and δ<sup>34</sup>S) investigations indicate that these evaporites were deposited in shallow marine to sabkha environments dominated by arid conditions. The presence of primary selenite crystals, the anhydrite with nodular, chicken-wire, and mosaic structures support precipitation occurred in a partially saline shallow water. The excessive thickness of the evaporitic accumulation, chaotic masses including gypsum breccia, salt diapirs and dome structures are attributed to tectonic processes acting during the formation of the Central Anatolian basins.
DOI: 10.6084/m9.figshare.20797151.v1
title: Origin and palaeodepositional environment of evaporites in the Bala sub-basin, Central Anatolia, Türkiye

description: Bala is located in Central Anatolia and is a sub-basin of the Tuzgölü basin, which consists of many basins formed in response to the closure of the Neotethys ocean. The evaporites in Bala sub-basin formed under the influence of regional uplifting during the Middle Eocene period with gradual shallowing in response to the structural compressional regime. The Bala sub-basin comprises four units from bottom to top: the Lower Unit (BU1) consisting of mudstone, claystone with limestone layers; the Evaporites (BU2) containing dominant gypsum with anhydrite; mixed siliciclastic-carbonate-evaporitic deposits (BU3); and the Upper Unit (BU4) containing conglomerate-sandstone-claystone and siltstones. The evaporitic unit, which are the main subject of study consists of primary selenitic gypsum, anhydrite, locally celestite crystals and secondary gypsum formed due to the anhydritization of primary gypsum and then hydration of these anhydrites. The results obtained from mineralogical-petrographic, geochemical and isotopic (δ<sup>18</sup>O and δ<sup>34</sup>S) investigations indicate that these evaporites were deposited in shallow marine to sabkha environments dominated by arid conditions. The presence of primary selenite crystals, the anhydrite with nodular, chicken-wire, and mosaic structures support precipitation occurred in a partially saline shallow water. The excessive thickness of the evaporitic accumulation, chaotic masses including gypsum breccia, salt diapirs and dome structures are attributed to tectonic processes acting during the formation of the Central Anatolian basins.
DOI: 10.6084/m9.figshare.20579500.v2
title: Bulk chemistry and Hf isotope ratios of the Almogholagh Intrusive Complex, western Iran: a consequence of an extensional tectonic regime in the Late Jurassic

description: The Almogholagh Intrusive Complex (AIC) in the central part of the Sanandaj-Sirjan zone (C-SaSZ) includes gabbros to granites. Zircon U-Pb dating of mafic, intermediate, and felsic intrusions yield age of 146 to 141 Ma (Late Jurassic-Early Cretaceous). Bulk chemistry shows a wide range for SiO<sub>2</sub> (46.8 to 73.3 wt.%), MgO (0.08 to 8.95 wt.%), and Fe<sub>2</sub>O<sub>3(T)</sub> (0.47 to 9.25 wt.%) and also alkali elements ranging from 3.59 to 10.12 wt.%. These rocks are characterized by a high content of large-ion lithophile elements (LILEs; e.g. Rb, U, Th, and K) and LREEs with weak Nb and Ta negative anomalies, showing many similarities to an extensional setting. The <sup>176</sup>Hf/<sup>177</sup>Hf ratios vary from 0.282802 to 0.282985 with positive εHf<sub>(t)</sub> values from + 1.67 to +10.74 (avg: 7.85). Trace-element and isotope ratios modelling indicate that the AIC mafic-intermediate rocks were generated by partial melting of spinel lherzolite and then underwent considerable crustal contamination. The present work in combination with previous data confirm an extensional tectonic regime for the northern part of the C-SaSZ during the Late Jurassic to Early Cretaceous. Magmatic differentiation with crustal contamination played a fundamental role in the wide compositional range from mafic to felsic types that formed the AIC.
DOI: 10.6084/m9.figshare.20479952
title: Multistage metallogeny and tectonic evolution in eastern NE China and adjacent Russian Far East: geochronology, geochemistry, and Sr-Nd-Hf isotope perspectives

description: A wide variety of deposit types formed in the late Palaeozoic-Mesozoic of eastern NE China and adjacent Russian Far East of the eastern Central Asian Orogenic Belt (CAOB). However, outstanding questions remain on the (1) number of magmatic and metallogenic phases, and their respective space–time distribution; (2) geochemical (incl. isotopic) signature and fertility of each magmatic phase; and (3) tectonic link with these magmato-metallogenic events. We present new data (zircon U-Pb dating, geochemistry, and Sr-Nd isotopes) on the Yangjingou W and Xiaoxi’nancha Au-Cu deposits, and compile published data from major ore deposits in the region. We have newly summarized four magmato-mineralization phases: (1) Middle Permian (ca. 273–259 Ma) Cu-Au-Pb-Zn, (2) Latest Permian-Early Triassic (ca. 253–247 Ma) W-Cu-Mo-Au, (3) Earliest-Middle Jurassic (ca. 201–162 Ma) Mo-Au-Fe-W-Pb-Zn, and (4) Cretaceous (ca. 129–83 Ma) W-Sn-Mo-Cu-Au mineralization. Cretaceous ore-causative granitoids are mainly I-type arc-related, whereas those for the three older mineralization phases are largely adakite-like or adakite-normal arc transitional. These granitoids were mostly derived from partial melting of juvenile crust, and to a lesser extent from a mixture of juvenile and ancient crust. We propose that the Middle Permian subduction of the Paleo-Asian and Panthalassa oceans formed the Au/Cu-Pb-Zn skarn and cryptoexplosive breccia-hosted Pb-Zn ± Ag deposits. Subsequently, the latest Permian-Early Triassic Paleo-Asian Ocean closure likely formed the porphyry-skarn Cu-Mo, orogenic Au, and vein-type W deposits in the Songliao and eastern Liaoyuan terranes. In the Early-Middle Jurassic, Paleo-Pacific subduction may have formed the Jiapigou orogenic Au belt and the Fe-polymetallic skarn deposits in the northern Songliao terrane, as well as porphyry Mo deposits along the Mudanjiang fault. Subsequently, Cretaceous W-Sn-Au-Cu metallogeny was controlled by Paleo-Pacific subduction rollback, and in the Russia Far East by partial melting of redox accretionary complexes.
DOI: 10.6084/m9.figshare.20479952.v1
title: Multistage metallogeny and tectonic evolution in eastern NE China and adjacent Russian Far East: geochronology, geochemistry, and Sr-Nd-Hf isotope perspectives

description: A wide variety of deposit types formed in the late Palaeozoic-Mesozoic of eastern NE China and adjacent Russian Far East of the eastern Central Asian Orogenic Belt (CAOB). However, outstanding questions remain on the (1) number of magmatic and metallogenic phases, and their respective space–time distribution; (2) geochemical (incl. isotopic) signature and fertility of each magmatic phase; and (3) tectonic link with these magmato-metallogenic events. We present new data (zircon U-Pb dating, geochemistry, and Sr-Nd isotopes) on the Yangjingou W and Xiaoxi’nancha Au-Cu deposits, and compile published data from major ore deposits in the region. We have newly summarized four magmato-mineralization phases: (1) Middle Permian (ca. 273–259 Ma) Cu-Au-Pb-Zn, (2) Latest Permian-Early Triassic (ca. 253–247 Ma) W-Cu-Mo-Au, (3) Earliest-Middle Jurassic (ca. 201–162 Ma) Mo-Au-Fe-W-Pb-Zn, and (4) Cretaceous (ca. 129–83 Ma) W-Sn-Mo-Cu-Au mineralization. Cretaceous ore-causative granitoids are mainly I-type arc-related, whereas those for the three older mineralization phases are largely adakite-like or adakite-normal arc transitional. These granitoids were mostly derived from partial melting of juvenile crust, and to a lesser extent from a mixture of juvenile and ancient crust. We propose that the Middle Permian subduction of the Paleo-Asian and Panthalassa oceans formed the Au/Cu-Pb-Zn skarn and cryptoexplosive breccia-hosted Pb-Zn ± Ag deposits. Subsequently, the latest Permian-Early Triassic Paleo-Asian Ocean closure likely formed the porphyry-skarn Cu-Mo, orogenic Au, and vein-type W deposits in the Songliao and eastern Liaoyuan terranes. In the Early-Middle Jurassic, Paleo-Pacific subduction may have formed the Jiapigou orogenic Au belt and the Fe-polymetallic skarn deposits in the northern Songliao terrane, as well as porphyry Mo deposits along the Mudanjiang fault. Subsequently, Cretaceous W-Sn-Au-Cu metallogeny was controlled by Paleo-Pacific subduction rollback, and in the Russia Far East by partial melting of redox accretionary complexes.
DOI: 10.6084/m9.figshare.20579500
title: Bulk chemistry and Hf isotope ratios of the Almogholagh Intrusive Complex, western Iran: a consequence of an extensional tectonic regime in the Late Jurassic

description: The Almogholagh Intrusive Complex (AIC) in the central part of the Sanandaj-Sirjan zone (C-SaSZ) includes gabbros to granites. Zircon U-Pb dating of mafic, intermediate, and felsic intrusions yield age of 146 to 141 Ma (Late Jurassic-Early Cretaceous). Bulk chemistry shows a wide range for SiO<sub>2</sub> (46.8 to 73.3 wt.%), MgO (0.08 to 8.95 wt.%), and Fe<sub>2</sub>O<sub>3(T)</sub> (0.47 to 9.25 wt.%) and also alkali elements ranging from 3.59 to 10.12 wt.%. These rocks are characterized by a high content of large-ion lithophile elements (LILEs; e.g. Rb, U, Th, and K) and LREEs with weak Nb and Ta negative anomalies, showing many similarities to an extensional setting. The <sup>176</sup>Hf/<sup>177</sup>Hf ratios vary from 0.282802 to 0.282985 with positive εHf<sub>(t)</sub> values from + 1.67 to +10.74 (avg: 7.85). Trace-element and isotope ratios modelling indicate that the AIC mafic-intermediate rocks were generated by partial melting of spinel lherzolite and then underwent considerable crustal contamination. The present work in combination with previous data confirm an extensional tectonic regime for the northern part of the C-SaSZ during the Late Jurassic to Early Cretaceous. Magmatic differentiation with crustal contamination played a fundamental role in the wide compositional range from mafic to felsic types that formed the AIC.
DOI: 10.6084/m9.figshare.20579500.v1
title: Bulk chemistry and Hf isotope ratios of the almogholagh intrusive complex, western Iran: a consequence of an extensional tectonic regime in the Late Jurassic

description: The Almogholagh Intrusive Complex (AIC) in the central part of the Sanandaj-Sirjan zone (C-SaSZ) includes gabbros to granites. Zircon U-Pb dating of mafic, intermediate, and felsic intrusions yield age of 146 to 141 Ma (Late Jurassic-Early Cretaceous). Bulk chemistry shows a wide range for SiO<sub>2</sub> (46.8 to 73.3 wt.%), MgO (0.08 to 8.95 wt.%), and Fe<sub>2</sub>O<sub>3(T)</sub> (0.47 to 9.25 wt.%) and also alkali elements ranging from 3.59 to 10.12 wt.%. These rocks are characterized by a high content of large-ion lithophile elements (LILEs; e.g. Rb, U, Th, and K) and LREEs with weak Nb and Ta negative anomalies, showing many similarities to an extensional setting. The <sup>176</sup>Hf/<sup>177</sup>Hf ratios vary from 0.282802 to 0.282985 with positive εHf<sub>(t)</sub> values from + 1.67 to +10.74 (avg: 7.85). Trace-element and isotope ratios modelling indicate that the AIC mafic-intermediate rocks were generated by partial melting of spinel lherzolite and then underwent considerable crustal contamination. The present work in combination with previous data confirm an extensional tectonic regime for the northern part of the C-SaSZ during the Late Jurassic to Early Cretaceous. Magmatic differentiation with crustal contamination played a fundamental role in the wide compositional range from mafic to felsic types that formed the AIC.
DOI: 10.6084/m9.figshare.20651619
title: Triassic granites in the West Qinling Orogen, China: implications for the Early Mesozoic tectonic evolution of the Paleo-Tethys ocean

description: The Western Qinling Orogen is marked by secular Triassic magmatism, a thorough understanding of the mechanism of which could provide critical insights into the reconstruction of the Palaeo-Tethys tectono-magmatic activity. Here, we present new geochemical, geochronological and Lu-Hf isotopic data for three batholiths and review regional data. These batholiths have similar rock assemblages (mainly granodiorite and monzogranite), which are characterized by dominantly plagioclase, quartz, and K-feldspar, subsequently amphibole and biotite. Zircon U-Pb data reveal that they represent the long-duration magmatism during the Triassic (ca. 251–223 Ma). Mineralogical characteristics and geochemical affinities manifest that these rocks in the Zeku district can be explicitly delineated as high-K, calc-alkaline, weakly fractionated I-type granites. They yield significantly negative ε<sub>Hf</sub>(<i>t</i>) values ranging from −12.81 to −1.26 with old two-stage mantle depleted model ages between 2054 and 1319 Ma. In tandem with Th/Nb (0.98), Th/La (0.39) and La/Nb (2.40) ratios and moderate pressure conditions (ca. 7–10 kbar), the studied granites were derived from partial melting of the Middle Paleoproterozoic to Middle Mesoproterozoic lower crust source region with minor mafic hydrous magma addition. Our new understandings, in conjunction with the temporal-spatial distribution characteristics of magmatism in the West Qinling Orogen, as well as the regional tectonic evolution, suggest that the superimposed orogeny evolved from the northward subduction of the Palaeo-Tethys Ocean (264–225 Ma) through syn-collision (225–215 Ma) to post-collision (beginning at ca.215 Ma) between the North China Craton and South China Block. In this scenario, at the convergent continental margin, the oceanic plate may have undergone melting producing the melts parental to the Zeku granites.
DOI: 10.6084/m9.figshare.20651619.v1
title: Triassic granites in the West Qinling Orogen, China: implications for the Early Mesozoic tectonic evolution of the Paleo-Tethys ocean

description: The Western Qinling Orogen is marked by secular Triassic magmatism, a thorough understanding of the mechanism of which could provide critical insights into the reconstruction of the Palaeo-Tethys tectono-magmatic activity. Here, we present new geochemical, geochronological and Lu-Hf isotopic data for three batholiths and review regional data. These batholiths have similar rock assemblages (mainly granodiorite and monzogranite), which are characterized by dominantly plagioclase, quartz, and K-feldspar, subsequently amphibole and biotite. Zircon U-Pb data reveal that they represent the long-duration magmatism during the Triassic (ca. 251–223 Ma). Mineralogical characteristics and geochemical affinities manifest that these rocks in the Zeku district can be explicitly delineated as high-K, calc-alkaline, weakly fractionated I-type granites. They yield significantly negative ε<sub>Hf</sub>(<i>t</i>) values ranging from −12.81 to −1.26 with old two-stage mantle depleted model ages between 2054 and 1319 Ma. In tandem with Th/Nb (0.98), Th/La (0.39) and La/Nb (2.40) ratios and moderate pressure conditions (ca. 7–10 kbar), the studied granites were derived from partial melting of the Middle Paleoproterozoic to Middle Mesoproterozoic lower crust source region with minor mafic hydrous magma addition. Our new understandings, in conjunction with the temporal-spatial distribution characteristics of magmatism in the West Qinling Orogen, as well as the regional tectonic evolution, suggest that the superimposed orogeny evolved from the northward subduction of the Palaeo-Tethys Ocean (264–225 Ma) through syn-collision (225–215 Ma) to post-collision (beginning at ca.215 Ma) between the North China Craton and South China Block. In this scenario, at the convergent continental margin, the oceanic plate may have undergone melting producing the melts parental to the Zeku granites.
DOI: 10.6084/m9.figshare.22738337.v1
title: manuscript_rep_workflow2023.zip

description: This is the Supplementary Methods for TQSLE Paper
DOI: 10.6084/m9.figshare.22738337
title: manuscript_rep_workflow2023.zip

description: This is the Supplementary Methods for TQSLE Paper
DOI: 10.6084/m9.figshare.22739063
title: manuscript_rep_workflow2023.zip

description: TQSLE sup method
DOI: 10.6084/m9.figshare.22739063.v1
title: manuscript_rep_workflow2023.zip

description: TQSLE sup method
DOI: 10.34740/kaggle/dsv/5591886
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.5281/zenodo.7890582
title: Input data for PCR-GLOBWB-RF (30 arcmin)

description: Input data for the 30 arcmin hybrid global streamflow modelling framework described in 'Global streamflow modelling using process-informed machine learning'. Contains the location of the selected 2286 stations and their respective observed discharge (GRDC), input meteorology, input catchment parameters and the state variables and streamflow from the uncalibrated PCR-GLOBWB.
DOI: 10.5281/zenodo.7890583
title: Input data for PCR-GLOBWB-RF (30 arcmin)

description: Input data for the 30 arcmin hybrid global streamflow modelling framework described in 'Global streamflow modelling using process-informed machine learning'. Contains the location of the selected 2286 stations and their respective observed discharge (GRDC), input meteorology, input catchment parameters and the state variables and streamflow from the uncalibrated PCR-GLOBWB.