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Chemometrics

Statistics and Chemometrics for Clinical Data Reporting, Part I

Jun 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

(Or, when you're through reading this set you'll know why it's always done with matrices.")
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

(Or, "When you're through reading this set you'll know why it's always done with matrices.")
Feb 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

(Or, "When you're through reading this set you'll know why it's always done with matrices.")
Oct 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.

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

(Or, "When you're through reading this set you'll know why it's always done with matrices.")
May 1, 2008

Howard Mark and Jerome Workman, Jr. continue their discussion of the derivation of the principal component algorithm using elementary algebra.

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

(Or, "When you're through reading this set you'll know why it's always done with matrices.")
Feb 1, 2008

Howard Mark and Jerome Workman, Jr. continue their discussion of the derivation of the principal component algorithm using elementary algebra.

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

(Or, "When you're through reading this set you'll know why it's always done with matrices.")
Sep 1, 2007

In this month's installment, columnists Howard Mark and Jerome Workman, Jr. present the derivation of the principal component algorithm using elementary algebra.

Addendum to Chemometrics in Spectroscopy

Corrections to Analysis of Noise: Part II
Jun 1, 2007

This column is the continuation of a series (1-5) dealing with the rigorous derivation of the expressions relating the effect of instrument (and other) noise to its effects on the spectra we observe. Our first column in this series was an overview. While subsequent columns dealt with other types of noise sources, the ones listed analyzed the effect of noise on spectra when the noise is constant detector noise (that is, noise that is independent of the strength of the optical signal). Inasmuch as we are dealing with a continuous series of columns, on this branch in the thread of the discussion, we again continue the equation numbering and use of symbols as though there were no break. The immediately previous column (5) was the first part of this set of updates of the original columns.

Limitations in Analytical Accuracy, Part II: Theories to Describe the Limits in Analytical Accuracy and Comparing Test Results for Analytical Uncertainty

Feb 1, 2007

In the second part of this series, columnists Jerome Workman, Jr. and Howard Mark continue their discussion of the limitations of analytical accuracy and uncertainty.

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