References ========== .. [centwave] http://www.biomedcentral.com/1471-2105/9/504 .. [openms] http://www.open-ms.de .. [poseclustering] http://bioinformatics.oxfordjournals.org/content/23/13/i273.full .. [pubchem] http://pubchem.ncbi.nlm.nih.gov/ .. [spyderlib] http://code.google.com/spyderlib/ .. [xcms] http://metlin.scripps.edu/xcms .. [IPython] http://ipython.org .. [Python] http://python.org .. [ipython_introduction] http://ipython.org/ipython-doc/dev/interactive/ .. [guidata] http://code.google.com/p/guidata .. [guiqwt] http://code.google.com/p/guiqwt