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Comparison of fit for a future purpose concept based on tolerance interval and ISO 11352 approaches to predict the quantitative performances and routine uncertainty of an ICP-MS method for the determination of 21 elements in drinking water
Microchemical Journal ( IF 4.9 ) Pub Date : 2018-05-01 , DOI: 10.1016/j.microc.2018.01.016
R. El Hajji , A. Boussetta , B. Aznag , F. Agdouz , B. Ihssane , O.A. Hamedane , T. Saffaj

Abstract This article outlines the validation results of an analytical method for the dosage at the same time twenty-one trace and ultra-trace elements - Li, Be, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Sr, Mo, Cd, Sn, Sb, Pb, Ag and Hg (using gold as a mercury stabilizer) - by ICP-MS in drinking water samples. A new validation methodology based on the expanded uncertainty profiles was exploited to select the best suitable calibration model, to assess the method accuracy within well-defined acceptability limits and to determine the limits of quantification as well as the working range. By means of an innovative formula based on the uncertainty concept, the validation study was completed and supported by the investigation of the risk profiles of various acceptable regression models with the aim of minimizing the risk of either accepting an invalid method or refusing a valid method. On the other hand, a new way of calculating the uncertainty of analytical results derived from β-content γ-confidence, tolerance interval as a complement to the top-down approaches proposed to date was described. The uncertainty estimates obtained by this proposal from validation data were compared via F-test with those arising from the ISO-11352 norm. In the light of this comparison, it can be concluded that our strategy makes it possible to approximate perfectly the routine uncertainty.

中文翻译:

基于公差区间和 ISO 11352 方法的未来用途概念的拟合比较,以预测用于测定饮用水中 21 种元素的 ICP-MS 方法的定量性能和常规不确定度

摘要 本文概述了一种分析方法对同时添加 21 种微量和超微量元素——Li、Be、Ti、V、Cr、Mn、Fe、Co、Ni、Cu、Zn、 As、Se、Sr、Mo、Cd、Sn、Sb、Pb、Ag 和 Hg(使用金作为汞稳定剂) - 通过 ICP-MS 在饮用水样品中测定。利用基于扩展不确定度曲线的新验证方法来选择最合适的校准模型,在明确定义的可接受限度内评估方法准确性,并确定量化限度和工作范围。通过基于不确定性概念的创新公式,验证研究已经完成,并得到了对各种可接受回归模型风险概况的调查的支持,目的是最大限度地减少接受无效方法或拒绝有效方法的风险。另一方面,描述了一种计算来自 β 含量γ 置信度、公差区间的分析结果不确定性的新方法,作为对迄今为止提出的自上而下方法的补充。该提案从验证数据中获得的不确定性估计通过 F 检验与 ISO-11352 规范产生的不确定性估计进行了比较。根据这种比较,可以得出结论,我们的策略可以完美地近似常规不确定性。描述了一种计算分析结果不确定性的新方法,该方法是对迄今为止提出的自上而下方法的补充,该方法是从 β 含量 γ 置信度、容差区间得出的。该提案从验证数据中获得的不确定性估计通过 F 检验与 ISO-11352 规范产生的不确定性估计进行了比较。根据这种比较,可以得出结论,我们的策略可以完美地近似常规不确定性。描述了一种计算分析结果不确定性的新方法,该方法是对迄今为止提出的自上而下的方法的补充,该方法源自 β 含量 γ 置信度、容差区间。该提案从验证数据中获得的不确定性估计通过 F 检验与 ISO-11352 规范产生的不确定性估计进行了比较。根据这种比较,可以得出结论,我们的策略可以完美地近似常规不确定性。
更新日期:2018-05-01
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