Abstract QUIDDIT is a free Python software-package designed to process Fourier Transform Infrared (FTIR) spectra of diamonds automatically and efficiently. Core capabilities include baseline correction, determination of nitrogen concentration, nitrogen aggregation state and model temperature and fitting of both the 3107 cm-1 and platelet (B’) peaks. These capabilities have allowed the authors to study platelet defects and their relationship to nitrogen aggregation in previous studies. Data visualisation, vital to interpreting and evaluating results, is another key component of the software. QUIDDIT can be applied to single spectra as well as linescan and 2-dimensional map data. Recently, additional features such as manual platelet peak and nitrogen fitting, custom batch peak fitting and two-stage aggregation modelling were made available. QUIDDIT has been used successfully for natural diamonds containing aggregated forms of nitrogen in the past and has since been adapted for the study of diamonds containing C-centres as well.

中文翻译：

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QUIDDIT - 量化钻石和推断温度中的红外活性缺陷

摘要 QUIDDIT 是一个免费的 Python 软件包，旨在自动高效地处理钻石的傅里叶变换红外 (FTIR) 光谱。核心功能包括基线校正、氮浓度测定、氮聚集状态和模型温度以及 3107 cm-1 和血小板 (B') 峰的拟合。这些功能使作者能够在之前的研究中研究血小板缺陷及其与氮聚集的关系。数据可视化对于解释和评估结果至关重要，是该软件的另一个关键组成部分。QUIDDIT 可应用于单个光谱以及线扫描和二维地图数据。最近，还提供了其他功能，例如手动血小板峰和氮拟合、自定义批次峰拟合和两阶段聚集建模。