Data set related to the article titled 'Determination of Root Species Composition in Grass-Legume Mixtures Using Fourier Transform Infrared (FTIR) Spectroscopy

This dataset accompanies the article titled 'Determination of Root Species Composition in Grass-Legume Mixtures Using Fourier Transform Infrared (FTIR) Spectroscopy". Dataset Description This dataset contains calibration and validation files, structured to support the building of an identification and quantification FTIR model for species-specific root composition in grass-clover mixtures. The data files are organized systematically, with a standardized naming convention and clear metadata to ensure reproducibility and transparency. File naming conventionThe dataset titles are coded as following: Species_DatasetType_MixtureTypeExample: PR_calib_artmix.csv Metadata fields Species: The plant species included in the dataset are coded as: PR = Perennial ryegrass RC = Red clover WC = White clover Dataset type: Indicates the type of dataset used for modeling and validation: calib = Calibration dataset blindval = Blind validation dataset loo = Leave-one-out validation dataset Mixture type: Specifies the type of sample composition: artmix = Artificial mixture pure = Pure roots File format: All data are provided as CSV files to ensure compatibility with common statistical and data analysis tools. Columns: Each dataset contains treatments and variables, including: Measured contents (%) Predicted contents (%) – the predicted values were obtained from spectra of the samples using OPUS software (Version 8.7.31, Bruker 2021). (The file tittled"FTIR_model_building_experiment_metadata" also explains the file naming convention and abbreviations)本数据集配套发表于题为《利用傅里叶变换红外（Fourier Transform Infrared, FTIR）光谱法测定禾本科-豆科混播群落的根系物种组成》的研究文章。 数据集说明 本数据集包含校准集与验证集文件，旨在支持构建用于鉴定并定量分析禾本科-三叶草混播体系物种特异性根系组成的FTIR模型。数据文件采用系统化组织方式，具备标准化命名规则与清晰的元数据，以确保研究可复现性与透明度。 文件命名规则 数据集文件命名遵循如下编码格式：物种_数据集类型_混播类型，示例：PR_calib_artmix.csv 元数据字段 物种：数据集所涵盖的植物物种编码规则如下： PR = 多年生黑麦草（Perennial ryegrass） RC = 红三叶（Red clover） WC = 白三叶（White clover） 数据集类型：用于标识建模与验证所用的数据集类型： calib = 校准数据集 blindval = 盲法验证数据集 loo = 留一法验证数据集 混播类型：用于指定样品组成类型： artmix = 人工模拟混播样品 pure = 纯根系样品 文件格式：所有数据均以CSV文件格式提供，以确保可兼容主流统计与数据分析工具。 数据列：各数据集包含处理组与变量信息，包括： - 实测含量（%） - 预测含量（%）—— 预测值通过OPUS软件（版本8.7.31，布鲁克Bruker，2021年）对样品光谱进行分析得到。 名为"FTIR_model_building_experiment_metadata"的文件同样对文件命名规则与缩写含义进行了解释。