Quantitative estimates of precision for molecular isotopic measurements.
At least three methods of calculating the random errors or variance of molecular isotopic data are presently in use. The major components of variance are differentiated and quantified here into least three to four individual components. The measurement of error of the analyte relative to a working (whether an internal or an external) standard is quantified via the statistical pooled estimate of error. A statistical method for calculating the total variance associated with the difference of two individual isotopic compositions from two isotope laboratories is given, including the variances of the laboratory (secondary) and working standards, as well as those of the analytes. An abbreviated method for estimation of of error typical for chromatographic/isotope mass spectrometric methods is also presented.
Jasper
J P
JP
Molecular Isotope Technologies, LLC, 8 Old Oak Lane, Niantic, CT 06357-1815, USA. JPJasper@MolecularIsotopes.com
D015203:Reproducibility of Results; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*