Abstract Data quality and reproducibility are vital for robust, reliable and consistent diagnostic techniques within clinical environments. Most variance within clinical laboratories occur within the pre-analytical phase, prior to obtaining and analysing data. Herein, we investigate pre-analytical considerations for the spectroscopic analysis of blood serum for the purpose of clinical diagnostics. Variables within sample collection, storage and preparation are explored in order to evaluate their effects on the spectral outcome, including; differences between sample collection tubes, centrifugal speed and time, short and long-term storage conditions, individual analyst technique, sample volumes, environment of sample batches, as well as various drying techniques. Exploratory data analysis using principal component analysis was implemented to unearth spectral variance not immediately observable. Minor spectral variations were observed within each experiment; however, these were not considered significant differences as a result of these varying experimental factors. Variation between different operator techniques when preparing samples was observed, yet can be resolved with appropriate standard operating procedures, regardless of other factors such as sample volume and storage conditions. The findings within this report suggest that experimental variations within a laboratory, or between different laboratories, does not significantly affect the spectral outcome, and with good laboratory practice and careful sample handling results should be consistent and reliable.

中文翻译：

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探索优化血清诊断的分析前因素：推进 ATR-FTIR 光谱的临床应用

摘要 数据质量和可重复性对于临床环境中稳健、可靠和一致的诊断技术至关重要。临床实验室内的大多数差异发生在分析前阶段，即在获取和分析数据之前。在此，我们研究了用于临床诊断目的的血清光谱分析的分析前考虑因素。探索样品收集、存储和制备中的变量，以评估它们对光谱结果的影响，包括：样品收集管、离心速度和时间、短期和长期储存条件、个体分析技术、样品量、样品批次环境以及各种干燥技术之间的差异。使用主成分分析进行探索性数据分析，以发现无法立即观察到的光谱方差。在每个实验中都观察到了微小的光谱变化；然而，由于这些不同的实验因素，这些并没有被认为是显着差异。观察到制备样品时不同操作员技术之间的差异，但可以通过适当的标准操作程序解决，而不管其他因素，如样品体积和储存条件。本报告中的研究结果表明，实验室内或不同实验室之间的实验变化不会显着影响光谱结果，并且具有良好的实验室实践和仔细的样品处理结果应该是一致和可靠的。