IT Solutions
Multivariate Analysis of Hit Lists from Spectral Searches
May 05 2006
Author: Gregory M. Banik, Ph.D. and Marie Scandone, Bio-Rad Laboratories, Inc. on behalf of Unassigned Independent Article
Principal Component Analysis (PCA) is a well-established technique in chemometrics for performing multivariate analyses on spectral and chromatographic data to simplify and clarify the massive amount of data that can result from a typical experiment. The application of this technique has covered many fields such as the evaluation of quality control spectra or characterising control versus treated samples in a metabolomics experiment. However, the use of PCA to analyse and visualise spectral hit lists generated from searching one or more reference databases is not well known. This technical note describes an example of the successful use of PCA to analyse a query and the hit list resulting from an IR spectral search.
Digital Edition
Lab Asia 31.2 April 2024
April 2024
In This Edition Chromatography Articles - Approaches to troubleshooting an SPE method for the analysis of oligonucleotides (pt i) - High-precision liquid flow processes demand full fluidic c...
View all digital editions
Events
May 05 2024 Seville, Spain
InformEx Zone at CPhl North America
May 07 2024 Pennsylvania, PA, USA
May 14 2024 Oklahoma City, OK, USA
May 15 2024 Birmingham, UK
May 21 2024 Lagos, Nigeria