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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
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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 deconvolution to align overlapped peaks.
http://ccehub.org/resources/xalign
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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
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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
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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