cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/6srvhg39t8.5
title: Lithological influence on Li isotope fractionation during silicate weathering

description: Data Repository Items for our upcoming manuscript on "Lithological influence on Li isotope fractionation during silicate weathering" submitted to Geochimica et Cosmochimica Acta.

2 files are attached in this repository:
Manuscript Tables: Table 1, Table 2, Table 3 and Table 4, Table 5, Table S1, and Table S2 located in the manuscript and supplementary material are included in separate sheets. 
Supplementary Data File 1: The supplementary data file contains the complete dataset for all individual samples and elements measured in this study.

Table captions:
Table 1. Information on sampling localities

Table 2. Selected in-situ geochemical data, dissolved load elemental concentrations and Li isotopic ratios from all localities. Full elemental data are in supplementary file 1.
a Mean value from all repeated samples from each season is presented.
b “W” indicates mean value from wet summer season samples. “D” indicates mean value from dry winter season values. 
c “n” indicates how many repeated samples obtained to calculate mean values
d “ND” indicates this variable was not determined during analyses.

Table 3. Li concentrations and isotopic values from bedload and bedrock from all localities. The lithology of the bedrock digested is also listed.
a “ND” indicates this variable was not determined during analyses.

Table 4. Breakdown of bedload clay mineralogical abundances.

Table 5. Rayleigh and batch-reactor model parameters and results. See text for full description and explanation of parameters

Table S1: Certified reference materials (CRM) and their errors for lithium isotopic measurements. Run 1 includes only wet season samples from July-August 2019. Run 2 includes both dry and wet season samples from January 2020 and September 2021 respectively. “n” indicates how many repeated measurements for each CRM during the run.

Table S2: Comparison between charge balance- and titration-derived bicarbonate concentrations for select dry season samples (10 out of 15 possible samples).
DOI: 10.5517/ccdc.csd.cc28yt8b
title: CCDC 2114022: Experimental Crystal Structure Determination

description: Related Article: Brina Dojer, Amalija Golobič, Nejc Babič, Zvonko Jagličić, Matjaž Kristl|2022|J.Mol.Struct.|1265|133393|doi:10.1016/j.molstruc.2022.133393
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.cc28yt9c
title: CCDC 2114023: Experimental Crystal Structure Determination

description: Related Article: Brina Dojer, Amalija Golobič, Nejc Babič, Zvonko Jagličić, Matjaž Kristl|2022|J.Mol.Struct.|1265|133393|doi:10.1016/j.molstruc.2022.133393
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: 10.17632/57349kh927
title: data ABW SGR and water quality

description: This study examines how pond type (HDPE vs. concrete) and water quality (pH, temperature, dissolved oxygen/DO) jointly shape two key performance indicators in Litopenaeus vannamei culture: Average Body Weight (ABW; g) and Specific Growth Rate (SGR; %·day⁻¹). Because ABW and SGR are observed simultaneously and can share unobserved shocks, we model them together using Seemingly Unrelated Regression (SUR) and compare results with separate OLS.
DOI: 10.5517/ccdc.csd.cc27rrrj
title: CCDC 2078418: Experimental Crystal Structure Determination

description: Related Article: Wenhua Lin, Liping Zhang, Gregory A. Solan, Yanping Ma, Tongling Liang, Wen-Hua Sun|2021|Eur.J.Inorg.Chem.|2021|4530|doi:10.1002/ejic.202100595
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.cc29005j
title: CCDC 2115166: Experimental Crystal Structure Determination

description: Related Article: Julianna S. Doll, Nicolas I. Regenauer, Viktoria P. Bothe, Hubert Wadepohl, Dragoş-Adrian Roşca|2022|Inorg.Chem.|61|520|doi:10.1021/acs.inorgchem.1c03212
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.cc200h2m
title: CCDC 1847509: Experimental Crystal Structure Determination

description: Related Article: Joseph A. Zurakowski, Brady J. H. Austen, Kasey R. Brown, Marcus W. Drover|2022|Chem.Commun.|58|2500|doi:10.1039/D1CC07060F
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.cc2920p3
title: CCDC 2117104: Experimental Crystal Structure Determination

description: Related Article: Samuel Lauzon, Lionel Schouwey, Thierry Ollevier|2022|Org.Lett.|24|1116|doi:10.1021/acs.orglett.2c00141
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: 10.17632/57349kh927.1
title: data ABW SGR and water quality

description: This study examines how pond type (HDPE vs. concrete) and water quality (pH, temperature, dissolved oxygen/DO) jointly shape two key performance indicators in Litopenaeus vannamei culture: Average Body Weight (ABW; g) and Specific Growth Rate (SGR; %·day⁻¹). Because ABW and SGR are observed simultaneously and can share unobserved shocks, we model them together using Seemingly Unrelated Regression (SUR) and compare results with separate OLS.
DOI: 10.5517/ccdc.csd.cc293ny1
title: CCDC 2118693: Experimental Crystal Structure Determination

description: Related Article: Kazimer L. Skubi, Reagan X. Hooper, Brandon Q. Mercado, Melissa M. Bollmeyer, Samantha N. MacMillan, Kyle M. Lancaster, Patrick L. Holland|2022|Inorg.Chem.|61|1644|doi:10.1021/acs.inorgchem.1c03499
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.cc294q6d
title: CCDC 2119693: Experimental Crystal Structure Determination

description: Related Article: Po-Chun Yang, Kuan-Po Yu, Chi-Tien Hsieh, Junjie Zou, Chia-Te Fang, Hsin-Kuan Liu, Chih-Wen Pao, Liang Deng, Mu-Jeng Cheng, Chun-Yi Lin|2022|Chemical Science|13|9637|doi:10.1039/D2SC02699F
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.cc25q4gj
title: CCDC 2017277: Experimental Crystal Structure Determination

description: Related Article: Chenyang Ma, Claire Besson|2021|Dalton Trans.|50|18077|doi:10.1039/D1DT03445F
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: 10.17632/z77d4bh34h
title: Multi-year legume green manure drives ecosystem recovery in coal mine agroecosystems: Evidence from microbial community modulation and lignin accumulation

description: Multi-year legume green manure drives ecosystem recovery in coal mine agroecosystems: Evidence from microbial community modulation and lignin accumulation. Data will be made available on request.
DOI: 10.5517/ccdc.csd.cc25q4ln
title: CCDC 2017281: Experimental Crystal Structure Determination

description: Related Article: Chenyang Ma, Claire Besson|2021|Dalton Trans.|50|18077|doi:10.1039/D1DT03445F
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.cc297m7f
title: CCDC 2122484: Experimental Crystal Structure Determination

description: Related Article: W. Kice Brown, Kevin K. Klausmeyer, Brian M. Lindley|2022|Chem.Commun.|58|867|doi:10.1039/D1CC06458D
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.cc2981d1
title: CCDC 2122892: Experimental Crystal Structure Determination

description: Related Article: F. W. Heinemann, J. Schöck, R. Meier|2021|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: 10.17632/z77d4bh34h.1
title: Multi-year legume green manure drives ecosystem recovery in coal mine agroecosystems: Evidence from microbial community modulation and lignin accumulation

description: Multi-year legume green manure drives ecosystem recovery in coal mine agroecosystems: Evidence from microbial community modulation and lignin accumulation. Data will be made available on request.
DOI: 10.5517/ccdc.csd.cc29961w
title: CCDC 2123997: Experimental Crystal Structure Determination

description: Related Article: Mira Keßler, Lukas Hartmann, Hans-Georg Stammler, Beate Neumann, Gerd-Volker Röschenthaler, Berthold Hoge|2022|Inorg.Chem.|61|10833|doi:10.1021/acs.inorgchem.2c01143
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.cc29962x
title: CCDC 2123998: Experimental Crystal Structure Determination

description: Related Article: Mira Keßler, Lukas Hartmann, Hans-Georg Stammler, Beate Neumann, Gerd-Volker Röschenthaler, Berthold Hoge|2022|Inorg.Chem.|61|10833|doi:10.1021/acs.inorgchem.2c01143
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: 10.17632/z7t6k58yp7
title: Research Data

description: Data Collection
For this study, three replicate 15m × 15m sample plots were established within each shrub niche making a total of 12 sample plots. Topographic factors such as elevation, slope, slope position, aspect, and major species were recorded for each sample plot. 
Furthermore, ten sample plants of each species were randomly selected to represent the overall growth condition of community in each sample plot. The healthy, mature leaves and branches were collected from the upper-middle part of each plant from four directions (east, west, south, and north). The fine roots were also dug up along the four cardinal directions of east, west, south, and north. The leaf, branch, and root samples collected from each plot were then mixed and stored in sealed plastic bags. 
Similarly, five 1 m×1 m subplots were randomly set up in each sample plot to collect surface litter. The collected litter was mixed and stored in sealed plastic bags. Meanwhile, using an S-shaped pattern, five soil sampling points were randomly set up. At each sampling point, soil samples were collected from depths of 0-10 cm, 10-20 cm, and 20-30 cm. All soil samples from the same soil layer in each plot were mixed and stored in sealed plastic bags. In total, 12 leaf samples, 12 branch samples, 12 root samples, 12 litter samples, and 36 soil samples were obtained and stored in a portable cooler for further processing.
Determination of Carbon, Nitrogen and Phosphorus
The collected leaf, branch, root, and litter samples were rinsed with deionized water and blanched at 105°C for 1 hour. The samples were then dried at 85°C, and ground into powder. The soil samples were air-dried to remove impurities, and using a ball mill (MM400 Ball Mill, Retsch, Germany) ground into fine powder before being packaged for subsequent stoichiometric analyses. The total organic carbon (TOC) content was measured by the potassium dichromate oxidation–ferrous sulfate titrimetry method. While total nitrogen (TN) content was determined by the Kjeldahl method, the total phosphorus (TP) content was measured by the molybdenum antimony colorimetric method.
DOI: 10.5517/ccdc.csd.cc29bm3d
title: CCDC 2125363: Experimental Crystal Structure Determination

description: Related Article: F. Knoch, K. Hahn, M. Doehring, K. Brodersen|2021|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: 10.17632/z7t6k58yp7.1
title: Research Data

description: Data Collection
For this study, three replicate 15m × 15m sample plots were established within each shrub niche making a total of 12 sample plots. Topographic factors such as elevation, slope, slope position, aspect, and major species were recorded for each sample plot. 
Furthermore, ten sample plants of each species were randomly selected to represent the overall growth condition of community in each sample plot. The healthy, mature leaves and branches were collected from the upper-middle part of each plant from four directions (east, west, south, and north). The fine roots were also dug up along the four cardinal directions of east, west, south, and north. The leaf, branch, and root samples collected from each plot were then mixed and stored in sealed plastic bags. 
Similarly, five 1 m×1 m subplots were randomly set up in each sample plot to collect surface litter. The collected litter was mixed and stored in sealed plastic bags. Meanwhile, using an S-shaped pattern, five soil sampling points were randomly set up. At each sampling point, soil samples were collected from depths of 0-10 cm, 10-20 cm, and 20-30 cm. All soil samples from the same soil layer in each plot were mixed and stored in sealed plastic bags. In total, 12 leaf samples, 12 branch samples, 12 root samples, 12 litter samples, and 36 soil samples were obtained and stored in a portable cooler for further processing.
Determination of Carbon, Nitrogen and Phosphorus
The collected leaf, branch, root, and litter samples were rinsed with deionized water and blanched at 105°C for 1 hour. The samples were then dried at 85°C, and ground into powder. The soil samples were air-dried to remove impurities, and using a ball mill (MM400 Ball Mill, Retsch, Germany) ground into fine powder before being packaged for subsequent stoichiometric analyses. The total organic carbon (TOC) content was measured by the potassium dichromate oxidation–ferrous sulfate titrimetry method. While total nitrogen (TN) content was determined by the Kjeldahl method, the total phosphorus (TP) content was measured by the molybdenum antimony colorimetric method.
DOI: 10.5517/ccdc.csd.cc29d888
title: CCDC 2126949: Experimental Crystal Structure Determination

description: Related Article: Makhosonke Ngcobo, Holliness Nose, Arumugam Jayamani, Stephen O. Ojwach|2022|New J.Chem.|46|6219|doi:10.1039/D1NJ06065A
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.cc29dh7g
title: CCDC 2127165: Experimental Crystal Structure Determination

description: Related Article: Olivier Blacque, Shiva F. Taghipourian, Heinz Berke|2021|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.cc29dy4t
title: CCDC 2127596: Experimental Crystal Structure Determination

description: Related Article: W.W. Brennessel, J.E. Ellis|2022|Acta Crystallogr.,Sect.E:Cryst.Commun.|78|60|doi:10.1107/S205698902101313X
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.cc28zxjq
title: CCDC 2115084: Experimental Crystal Structure Determination

description: Related Article: Zouaoui Setifi, Bruno Landeros-Rivera, Peter W.R. Corfield, Diego M. Gil, Julia Contreras-Garcia, Fatima Setifi, Helen Stoeckli-Evans|2022|J.Mol.Struct.|1261|132885|doi:10.1016/j.molstruc.2022.132885
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.cc29g7pq
title: CCDC 2128853: Experimental Crystal Structure Determination

description: Related Article: F. W. Heinemann, R. Meier|2021|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.cc29gb37
title: CCDC 2128928: Experimental Crystal Structure Determination

description: Related Article: Florian J. Ritz,  Markus Lerch,  Jonathan Becker,  Siegfried Schindler|2022|J.Coord.Chem.|75|894|doi:10.1080/00958972.2022.2095268
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.cc28y9fz
title: CCDC 2113531: Experimental Crystal Structure Determination

description: Related Article: Sandip Munshi, Arup Sinha, Solomon Yiga, Sridhar Banerjee, Reena Singh, Md. Kamal Hossain, Matti Haukka, Andrei Felipe Valiati, Ricardo Dagnoni Huelsmann, Edmar Martendal, Rosely Peralta, Fernando Xavier, Ola F. Wendt, Tapan K. Paine, Ebbe Nordlander|2022|Dalton Trans.|51|870|doi:10.1039/D1DT03381F
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.cc29gb48
title: CCDC 2128929: Experimental Crystal Structure Determination

description: Related Article: Florian J. Ritz,  Markus Lerch,  Jonathan Becker,  Siegfried Schindler|2022|J.Coord.Chem.|75|894|doi:10.1080/00958972.2022.2095268
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.cc28y9g0
title: CCDC 2113532: Experimental Crystal Structure Determination

description: Related Article: Sandip Munshi, Arup Sinha, Solomon Yiga, Sridhar Banerjee, Reena Singh, Md. Kamal Hossain, Matti Haukka, Andrei Felipe Valiati, Ricardo Dagnoni Huelsmann, Edmar Martendal, Rosely Peralta, Fernando Xavier, Ola F. Wendt, Tapan K. Paine, Ebbe Nordlander|2022|Dalton Trans.|51|870|doi:10.1039/D1DT03381F
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.