iSTATS: A Graphical Interface to Perform STOCSY Analyses on NMR Data

Launches a 'shiny' based application for Nuclear Magnetic Resonance (NMR) data importation and Statistical TOtal Correlation SpectroscopY (STOCSY) analyses in a full interactive approach. The theoretical background and applications of the STOCSY method are described by Cloarec, O., Dumas, M. E., Craig, A., Barton, R. H., Trygg, J., Hudson, J., Blancher, C., Gauguier, D., Lindon, J. C., Holmes, E. & Nicholson, J. (2005) <doi:10.1021/ac048630x>. Spectral alignment follows the interval correlation optimized shifting method of Savorani, F., Tomasi, G. & Engelsen, S. B. (2010) <doi:10.1016/j.jmr.2009.11.012>.

install.packages("iSTATS")

Try the iSTATS package in your browser