Calibration, Error Analysis, and Ongoing Measurement Process Monitoring for Mass Spectrometry |
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Authors: | Stephen B Vardeman Joanne R Wendelberger Lily Wang |
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Affiliation: |
a Departments of Statistics and Industrial and Manufacturing Systems Engineering, Iowa State University, Ames, IA, USA
b Statistical Sciences Group, Los Alamos National Laboratory, Los Alamos, NM, USA
c MST6—Materials Technology Metallurgy Group, Los Alamos National Laboratory, Los Alamos, NM, USA |
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Abstract: | We consider problems of quantifying and monitoring accuracy and precision of measurement in mass spectrometry, particularly in contexts where there is unavoidable day-to-day/period-to-period changes in instrument sensitivity. First, we consider the issue of estimating instrument sensitivity based on data from a typical calibration study. Simple method-of-moments methods, likelihood-based methods, and Bayes methods based on the one-way random effects model are illustrated. Then, we consider subsequently assessing the precision of an estimate of a mole fraction of a gas of interest in an unknown. Finally, we turn to the problem of ongoing measurement process monitoring and illustrate appropriate setup of Shewhart control charts in this application. |
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Keywords: | Device sensitivity Variance components Mixed effects R Bayes analysis WinBUGS Method-of-moments REML Specimen-to-specimen variation Day-to-day variation Estimated mole fraction Propagation of error Delta method Standard error Posterior distribution Control limits |
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