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

Free to read

This article has been unlocked and is ready to read.

Download

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.

Free to read

This article has been unlocked and is ready to read.

Download


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

Microbiology Society Annual Conference 2024

Apr 08 2024 Edinburgh 2024

analytica 2024

Apr 09 2024 Munich, Germany

ChemBio Finland 2024

Apr 10 2024 Helsinki, Finland

Analytica Anacon India & IndiaLabExpo

Apr 15 2024 Mumbai, India

Analitika Expo 2024

Apr 16 2024 Moscow, Russia

View all events