Tool for statistical analysis of metabolomics on Microsoft Excel
Principal component analysis (PCA), projection to latent structure regression (PLS-R), and projection to latent structure based discriminant analysis (PLS-DA) are the commonly-used multivariate analysis method in metabolomics study.
Of course, there are many platforms for these analyses not only by the commercially available software such as SIMCA-P, but also by freely available software such as statistical language R, MetaboAnalyst.
I also use them very much!
However, I think that excel based platform should be also required for the approachability and the easily adjustment of Figures.
In addition to multivariate analysis, I think that the easy-to-use platform for the graph making and the multiple comparison method is also required although I also know these tasks are possible by some tools like VANTED.
I would like to offer the platform such that many researchers can easily do the statistical analysis.
- H.Tsugawa et al (2015) MS-DIAL: data independent MS/MS deconvolution for comprehensive metabolome analysis. Nature Methods, 12, 523-526 [PubMed]
Format (Please see the example file)
- Data file must be saved as comma separated values (CSV) file format.
- First column must include the labels such as the retention time, peak number, and compound name in addition to two first rows, i.e. "Class", "Row: Label:: Column: Sample" index.
- First row must include the "Class" index. The order of class number is flexible. But users must use the class number from 1 without skip number.
- Second row must include the sample information.
- Others must include variables.
Normalization method by internal standard
Bar graph making
Line chart making
Principal component analysis (PCA)
Projection to latent structure regression (PLS-R)
Projection to latent structure based discriminant analysis (PLS-DA)
If you use 32 bit Windows OS and Excel 2007/2010, please download the macro file, example file, and manual: Statistical analysis tool for 32 bit and Excel 2007_2010.
If you use 64 bit Windows OS and Excel 2010, please download Statistical analysis tool for 64 bit and Excel 2010.
RIKEN Center for Sustainable Resource Science (formerly Plant Science Center)
Practical and Useful Data Analysis Tools for Metabolomics Research