Abstract This study describes the feasibility of ATR-FTIR spectroscopy combined with multivariate data analysis for discrimination and estimation of the firing conditions of the shard samples excavated from the sanctuary of Hecate at Lagina. ATR-FTIR spectra of 53 shard samples were collected in the different spectral regions (1700−825, 825−400, 1700−400 cm−1) and the similarities and differences in the samples were assessed in 36 principal component analysis (PCA) models that use normal, first, and second-derivative spectra of the spectral regions. The performance of PCA models developed was evaluated by principal component (PC) percentages, eigen-values, the factor numbers reached, and the number of samples outside of explained variance (95%). It was observed that the PCA model employing normal spectra (825−400 cm-1) with 31 smoothing points has the best statistical results for discriminating against the shards of the sanctuary of Hecate based on their different mineralogical composition. The second-derivative ATR-FTIR spectra (two polynomial degrees and 11 smoothing points of Savitzky-Golay method) in the range of 1700−400 cm-1 was successfully used to determine the mineralogical composition and the firing conditions of the shard samples of the sanctuary of Hecate. The results showed that all shard groups have the characteristics of mica-type (micaceous) clay, mainly contain muscovite, quartz, gypsum, and meta-smectite, but also a remarkable amount of firing mineral such as diopside. The occurrence of appreciable amounts of muscovite, diopside, and hematite suggested that most of the shards have been fired at temperatures about 800 °C, but lower than 950 °C, in the oxidizing atmospheric conditions.

中文翻译：

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深入的化学计量学研究：通过 FTIR 光谱法和多变量数据分析对从土耳其穆拉拉吉纳的赫卡特圣所出土的陶瓷碎片进行考古学表征

摘要 本研究描述了 ATR-FTIR 光谱结合多变量数据分析的可行性，用于鉴别和估计从 Lagina 的 Hecate 圣所挖掘出的碎片样品的烧制条件。在不同光谱区域（1700-825、825-400、1700-400 cm-1）收集了 53 个碎片样品的 ATR-FTIR 光谱，并在 36 个主成分分析 (PCA) 模型中评估了样品的异同使用光谱区域的正态、一阶和二阶导数光谱。开发的 PCA 模型的性能通过主成分 (PC) 百分比、特征值、达到的因子数和解释方差之外的样本数 (95%) 进行评估。观察到，使用具有 31 个平滑点的正常光谱 (825-400 cm-1) 的 PCA 模型具有最好的统计结果，可以根据其不同的矿物组成来区分 Hecate 保护区的碎片。成功地利用1700-400 cm-1范围内的二阶导数ATR-FTIR光谱（Savitzky-Golay方法的两个多项式和11个平滑点）确定了碎片样品的矿物组成和烧成条件。赫卡特的圣所。结果表明，所有碎片群都具有云母型（云母）粘土的特征，主要含有白云母、石英、石膏和变蒙脱石，但也含有显着量的透辉石等烧成矿物。出现大量白云母、透辉石、