Lavagnini Irma, Magno Franco
Dipartimento di Scienze Chimiche, Università di Padova, via Marzolo 1, 35131 Padova, Italy.
Mass Spectrom Rev. 2007 Jan-Feb;26(1):1-18. doi: 10.1002/mas.20100.
The paper summarizes critically the current approaches for the calculation of the limits of detection and quantification. In the context of the description of the method based on the calibration line, the arguments concerning the underlying experimental design, the choice of the appropriate model in the univariate regression, the effects of the dispersion characteristics of the data are deeply discussed. The effects of the scedasticity of the experimental data are taken into account in the obtainment of the calibration curve and in its utilization. To gain transparency, adaptability, and tutorial effectiveness the explicit formulas relevant to the use of straight line and quadratic models are reported. An application of the described procedures to GC-MS data is reported as an illustrative example.
本文批判性地总结了当前检测限和定量限的计算方法。在基于校准曲线的方法描述中，深入讨论了有关基础实验设计、单变量回归中合适模型的选择以及数据离散特性影响的论点。在校准曲线的获取及其应用中考虑了实验数据异方差性的影响。为了提高透明度、适应性和教学效果，报告了与直线和二次模型使用相关的明确公式。作为一个示例，报告了所描述程序在气相色谱 - 质谱数据中的应用。
