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基于网络的交互式数据处理:在稳定同位素计量学中的应用

web-based interactive data processing: application to stable isotope metrology.

作者信息

Verkouteren R M, Lee J N

机构信息

National Institute of Standards and Technology, Gaithersburg MD 20899, USA.

出版信息

Fresenius J Anal Chem. 2001 Aug;370(7):803-10. doi: 10.1007/s002160100870.

Abstract

To address a fundamental need in stable isotope metrology, the National Institute of Standards and Technology (NIST) has established a web-based interactive data-processing system accessible through a common gateway interface (CGI) program on the internet site http://www. nist.gov/widps-co2. This is the first application of a web-based tool that improves the measurement traceability afforded by a series of NIST standard materials. Specifically, this tool promotes the proper usage of isotope reference materials (RMs) and improves the quality of reported data from extensive measurement networks. Through the International Atomic Energy Agency (IAEA), we have defined standard procedures for stable isotope measurement and data-processing, and have determined and applied consistent reference values for selected NIST and IAEA isotope RMs. Measurement data of samples and RMs are entered into specified fields on the web-based form. These data are submitted through the CGI program on a NIST Web server, where appropriate calculations are performed and results returned to the client. Several international laboratories have independently verified the accuracy of the procedures and algorithm for measurements of naturally occurring carbon-13 and oxygen-18 abundances and slightly enriched compositions up to approximately 150% relative to natural abundances. To conserve the use of the NIST RMs, users may determine value assignments for a secondary standard to be used in routine analysis. Users may also wish to validate proprietary algorithms embedded in their laboratory instrumentation, or specify the values of fundamental variables that are usually fixed in reduction algorithms to see the effect on the calculations. The results returned from the web-based tool are limited in quality only by the measurements themselves, and further value may be realized through the normalization function. When combined with stringent measurement protocols, two- to threefold improvements have been realized in the reproducibility of carbon-13 and oxygen-18 determinations across laboratories.

摘要

为满足稳定同位素计量学的一项基本需求,美国国家标准与技术研究院(NIST)建立了一个基于网络的交互式数据处理系统,可通过互联网网站http://www.nist.gov/widps-co2上的通用网关接口(CGI)程序访问。这是基于网络的工具的首次应用,该工具提高了一系列NIST标准物质所提供的测量可追溯性。具体而言,此工具促进了同位素参考物质(RM)的正确使用,并提高了来自广泛测量网络的报告数据的质量。通过国际原子能机构(IAEA),我们定义了稳定同位素测量和数据处理的标准程序,并确定并应用了选定的NIST和IAEA同位素RM的一致参考值。样品和RM的测量数据输入到基于网络的表单中的指定字段。这些数据通过NIST Web服务器上的CGI程序提交,在那里进行适当的计算并将结果返回给客户端。几个国际实验室已经独立验证了测量天然存在的碳-13和氧-18丰度以及相对于天然丰度高达约150%的轻微富集成分的程序和算法的准确性。为了节省NIST RM的使用,用户可以确定用于常规分析的二级标准的赋值。用户可能还希望验证其实验室仪器中嵌入的专有算法,或者指定通常在还原算法中固定的基本变量的值,以查看对计算的影响。基于网络的工具返回的结果仅受测量本身的质量限制,并且可以通过归一化功能实现进一步的价值。当与严格的测量协议相结合时,实验室间碳-13和氧-18测定的重现性提高了两到三倍。

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