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Chemometrics in Spectroscopy Column

Classical Least Squares, Part IV: Spectroscopic Theory Continued

February 11, 2011

The connection between the mathematics of classical least squares and the graphical displays used to present it is examined in further detail.

Classical Least Squares, Part III: Spectroscopic Theory

October 1, 2010

The authors continue their ongoing discussion of classical least squares with a look at spectroscopic theory.

Classical Least Squares, Part II: Mathematical Theory Continued

June 1, 2010

The authors continue their discussion of the classical least squares approach to calibration.

Classical Least Squares, Part I: Mathematical Theory

May 1, 2010

In this month's installment of "Chemometrics in Spectroscopy," the authors begin a new subseries with the goal of explaining the classical least squares algorithm.

Statistics and Chemometrics for Clinical Data Reporting, Part III: Using Excel for Data Plotting

February 1, 2010

This installment of "Chemometrics in Spectroscopy" illustrates the various graphical ways used to observe and interpret comparative clinical quantitative measurement methods.

Statistics and Chemometrics for Clinical Data Reporting, Part I

June 1, 2009

This article describes the application of chemometric methods and statistics for reporting clinical quantitative measurement methods. The equations and terminology are consistent with the Clinical and Laboratory Standards Institute (CLSI) guidelines. These chemometric and statistical methods describe the accuracy and precision of a test method compared to a reference method for a single analyte determination. Part I will introduce these concepts and Part II will discuss the statistical underpinnings in greater detail.

The Long, Complicated, Tedious, and Difficult Route to Principal Components: Coda

May 1, 2009

Columnists Howard Mark and Jerome Workman, Jr. take a final look at the topic of principal components, which has been the subject of six previous installments.

The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part VI

February 1, 2009

This column is a continuation of the set we have been working on to explain and derive the equations behind principal components (1–5). As we usually do, when we continue the discussion of a topic through more than one column, we continue the numbering of equations from where we left off.

The Long, Complicated, Tedious, and Difficult Route to Principal Components: Part V

October 1, 2008

For a system of homogeneous equations to have a solution other than the trivial solution, the determinant of the system of equations must be zero.

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