| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1169301 | Analytica Chimica Acta | 2009 | 12 Pages |
Abstract
A comprehensive characterization of measurement uncertainties in NMR based metabolomics was achieved in this work using an experiment designed to capture contributions of several sources of error to the total variance in the measurements. The noise structure was found to be heteroscedastic and highly correlated with spectral characteristics that are similar to the mean of the spectra and their standard deviation. A model was subsequently developed that potentially allows errors in NMR measurements to be accurately estimated without the need for extensive replication.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Tobias K. Karakach, Peter D. Wentzell, John A. Walter,