FTIR spectral dataset of medicinal plants used in the Mazahua region of northern Estado de México under different sample conditions and spectral resolutions.

The PlantSpectraDS_FTIR dataset comprises 1,335 Fourier Transform Infrared Spectroscopy (FTIR) spectra obtained from leaves of 21 medicinal plant species collected at the Pagmili Ethnobotanical Garden of the Universidad Intercultural del Estado de México, located in the municipality of San Felipe del Progreso, in the Mazahua region of northern Estado de México, Mexico. The dataset was acquired using a JASCO FT/IR-4X spectrometer equipped with a PRO 4X VIEW Attenuated Total Reflectance (ATR) accessory. FTIR measurements were obtained in transmittance mode (%T), over a spectral range from 4000 to 400 cm⁻¹. The dataset is organized into three independent spectral-resolution directories: high_resolution, standard_resolution, and low_resolution. The high-resolution dataset was acquired using a spectral resolution of 2 cm⁻¹ and 64 scans, the standard-resolution dataset using 4 cm⁻¹ and 16 scans, and the low-resolution dataset using 16 cm⁻¹ and 8 scans. Each resolution contains 445 spectra, resulting in a total of 1,335 spectra. The 445 spectra available at each resolution are organized into two experimental groups. Group 1 comprises 18 plant species evaluated under three sample preparation conditions: fresh, pressed-dried, and hang-dried. Five spectra were obtained for each species and condition, resulting in 270 spectra. Group 2 comprises seven selected species evaluated in the fresh condition, with 25 spectra per species, resulting in 175 spectra. Four of the seven species in Group 2 are also included in Group 1, while three species are not represented in Group 1. Therefore, the dataset contains 21 unique plant species. The 21 medicinal plant species included in the dataset are: Artemisia absinthium L. (Ajenjo). Aloysia citrodora Paláu (Cedrón). Pelargonium graveolens L'Hér. (Citronela). Equisetum hyemale L. (Cola de caballo). Artemisia ludoviciana Nutt. (Estafiate blanco). Brugmansia aurea Lagerh. (Floripondio amarillo). Foeniculum vulgare Mill. (Hinojo). Lantana camara L. (La nuera, la suegra y los cinco negritos). Lavandula dentata L. (Lavanda). Rumex obtusifolius L. (Lengua de vaca). Laburnum anagyroides Medik. (Lluvia amarilla). Pelargonium × hybridum (L.) L'Hér. (Malvón). Salvia microphylla Kunth (Mirto). Passiflora incarnata L. (Pasiflora). Salvia rosmarinus Spenn. (Romero). Ruta chalepensis L. (Ruda). Salvia leucantha Cav. (Salvia morada). Nicotiana rustica L. (Tabaco amarillo). Nicotiana tabacum L. (Tabaco rosa). Coleus hadiensis (Forssk.) A.J.Paton (Vaporub). Rubus adenotrichos Schltdl. (Zarzamora). Each spectrum is provided as an individual CSV file containing the spectral data and the acquisition metadata generated by the JASCO spectrometer. The spectral data represent transmittance (%) as a function of wavenumber (cm⁻¹). The files retain the original acquisition information in their headers and footers. The repository includes the following main data and metadata files: • DatasetIndex.csv and DatasetIndex.xlsx: provide sample traceability information, including the unique spectral identifier, plant name, sample condition, experimental group, acquisition date, corresponding spectral file, and leaf measurement identifier. • Taxonomy.csv and Taxonomy.xlsx: provide the taxonomic information associated with the 21 plant species, including plant identifier, accepted scientific name, common name, authorship, kingdom, order, family, genus, specific epithet, taxonomic status, botanical synonyms, and taxonomic source. Accepted scientific names were verified using Plants of the World Online (POWO) and the International Plant Names Index (IPNI). The spectral filenames encode information related to the plant, sample condition, leaf measurement, and measurement sequence. For computational compatibility, plant names used in filenames were normalized by removing diacritical marks and replacing spaces with underscores. The original Spanish common names, including diacritical marks, are preserved in the spectral files and taxonomic metadata. A representative filename is: AJENJO_FRESCA_HOJA_1_1.csv The repository also contains the original acquisition metadata associated with each spectrum. The main metadata fields include: • Sample name: name assigned to the analyzed sample.• ID: sample or spectrum identifier.• Date / Time: date and time of spectral acquisition.• XUNITS / YUNITS: units corresponding to wavenumber and transmittance.• FIRSTX / LASTX: initial and final values of the spectral range.• NPOINTS: total number of spectral data points.• Resolution: spectral resolution used during acquisition.• Accumulation: number of scans or accumulations.• Scan speed: spectral acquisition speed.• Spectrometer: instrument model.• Accessory: accessory used for the measurement.• MAXY / MINY: maximum and minimum signal values.• XYDATA: spectral data.• Comments: additional experimental information. A detailed description of the spectral metadata is provided in the file Spectrum_File_Metadata_Description.txt. The repository also includes computational resources to facilitate dataset inspection, visualization, and reuse: • Install_libraries.ipynb: installation of the computational libraries required for data analysis. • Validation_libraries.ipynb: verification of the computational environment and installed libraries. • ClasifPlantas_DS.ipynb: procedures for querying spectral data and metadata, visualizing individual spectra, and comparing spectra acquired under the three spectral-resolution configurations. Additional documentation files are provided: • Spectrum_File_Metadata_Description.txt: description of the metadata fields contained in the spectral files. • DatasetIndex_Metadata_Description.txt: description of the fields contained in DatasetIndex.csv and DatasetIndex.xlsx. • Taxonomy_description.txt: description of the taxonomic information. • Versions.txt: Python and relevant library versions used in the computational environment. The availability of individual spectral files, acquisition metadata, sample traceability information, taxonomic information, and computational resources is intended to facilitate the reproducibility, reuse, and further analysis of the PlantSpectraDS_FTIR dataset.