Dataset of Raman spectroscopy responses for over-the-counter drugs in Paraguay, including acetylsalicylic acid, paracetamol, and ibuprofen.

Spectra of three over-the-counter pharmaceuticals—acetylsalicylic acid, paracetamol, and ibuprofen—were collected at the Faculty of Exact and Natural Sciences of the National University of Asuncion, with the aim of creating a dataset that serves as a reference for Raman responses from different drug manufacturers. This dataset will also provide the scientific community with data that can be used for multivariate analysis and model training. In the data collection phase, spectra were obtained using a Raman spectroscopy system (iRaman 785s model from BWTEK) equipped with a 785 nm excitation laser. Samples were collected from diverse sales points such as pharmacies, shopping centers, and street vendors. Each spectrum was captured at 50% laser power with a measurement time of 1 second and an accumulation of 10 spectra over a range of 150 to 3200 cm-1. This method preserved the integrity of the raw data, which includes a common column for Raman shifts and additional columns for intensities and labels, detailing the activation modes in the Raman spectrum. The data is structured into specific xlsx files for each drug, such as "Paracetamol.xlsx", "acetylsalicylic-acid .xlsx", and "Ibuprofen .xlsx", each containing 50 spectra categorized by the type of pharmaceutical but not by brand. Brand-specific categorization is detailed in separate files like "Paracetamol-trademark .xlsx", where samples are classified using codes such as "Par-A" for different brands. This organization aids the scientific community in using clustering methods to analyze the spectral data and differentiate pharmaceutical brands based on their excipients or binders, with consistent codes across different drugs suggesting common manufacturers for various medications.本数据集采集了三种非处方药物——乙酰水杨酸（acetylsalicylic acid）、对乙酰氨基酚（paracetamol）与布洛芬（ibuprofen）的拉曼光谱，采集工作于国立亚松森大学（National University of Asuncion）精确与自然科学学院完成，旨在构建一套可作为不同药企拉曼响应参考依据的标准数据集。本数据集同时可为全球科学界提供可用于多元统计分析与模型训练的高质量科研数据。 数据采集阶段采用搭载785 nm激发激光器的拉曼光谱（Raman spectroscopy）系统（BWTEK公司iRaman 785s型号）获取光谱样本。样本采集自多类销售渠道，涵盖实体药店、购物中心与街头摊贩。每条光谱均以50%激光功率采集，单次测量时长为1秒，累加10次扫描，有效波数扫描范围为150至3200 cm⁻¹。该采集方案完整保留了原始数据的完整性：原始数据集包含一列统一的拉曼位移（Raman shift）数据，以及多列强度与标签数据，详细标注了拉曼光谱中的振动激活模式。 数据集按药物种类分为专属Excel文件，例如「Paracetamol.xlsx」、「acetylsalicylic-acid.xlsx」与「Ibuprofen.xlsx」，每个文件包含50条光谱数据，按药物类型而非品牌进行分类。品牌专属分类信息则存储于单独的配套文件中，例如「Paracetamol-trademark.xlsx」，该文件以「Par-A」等编码对不同品牌的样本进行分类。此数据结构便于科学界采用聚类分析方法处理光谱数据，基于赋形剂或黏合剂差异区分药物品牌；不同药物间一致的编码规则，可用于推断多款制剂是否来自同一药企。