Pattern Recognition for Normalized LC-MS Data

12 Jan 2009 | Tools | Contributor(s): Ann Christine Catlin, George Howlett

This tool provides principal component analysis (PCA), linear discriminate analysis (LDA), and canonical discriminate analysis (CDA) for data clustering on aligned, normalized LC-MS datasets.

http://ccehub.org/resources/pattern

Peak Alignment of LC-MS Data

15 Sep 2008 | Tools | Contributor(s): Ann Christine Catlin, George Howlett

Peak alignment addresses retention time shift by recongnizing and aligning significant peaks; it then uses discrete deconvolutio to align overlapped peaks.

http://ccehub.org/resources/xalign

Significance Testing of Normalized LC-MS Data

12 Jan 2009 | Tools | Contributor(s): Ann Christine Catlin

Several statistical significance tests are employed to identify peptide or metabolite peaks that either make significant contributions to the molecular profile of a sample or distinguish a group of …

http://ccehub.org/resources/significance

Normalization of Aligned LC-MS Data

12 Jan 2009 | Tools | Contributor(s): Ann Christine Catlin, George Howlett

Normalization attempts to quantitatively filter overall peak intensity variations due to experiment errors such as systematic variable injection volumes loaded onto LC-MS.

http://ccehub.org/resources/normal

Spectrum Deconvolution of LC-MS Data

05 Sep 2008 | Tools | Contributor(s): Ann Christine Catlin, George Howlett

Spectral deconvolution differentiates analyte signals from contaminants or instrumental noise, and reduces data dimensionality to benefit downstream statistical analysis.

http://ccehub.org/resources/xmass