Chemometrics In Spectroscopy - Statistics and Chemometrics for Clinical Data Reporting, Part II: Using Excel for Computations

摘要

This column installment describes the statistical underpinnings related to computation and interpretation of chemometric methods and statistics for reporting clinical quantitative measurement methods. These chemometric and statistical methods describe the accuracy, precision, goodness of fit for linear regression, slope, bias, and percent coefficient of variation for a test method compared to a reference method for a single analyte determination. The Excel spreadsheet nomenclature is given for computation of all statistical parameters mentioned. Part III will demonstrate useful graphical representations and present further discussion of the statistics used in these first two column installments. As described in the previous column (1), often there is confusion in multidisciplinary uses of statistical methods for analytical methods due to the variation in terminology, assumptions, and specific uses within different technical disciplines. Certain analytical methods of analysis are concerned only with overall error of analysis or correlation; others emphasize repeatability and reproducibility, and yet others report only bias and precision. Often, engineers look at total error analysis as tolerance stacking so that the sums of all errors in a specific dimension are less than the total maximum allowable tolerance.