Resources

Software and data from the lab. Analysis code for individual papers is released as a research compendium alongside the paper; general-purpose tools are separate R packages.

Software

paramounter

Measures LC–MS processing parameters directly from the data, rather than tuning them by hand.

mzrtools

Turns molecular formulas into the values mass spectrometry needs: monoisotopic masses, targeted libraries, isotope enumeration and probability distributions, and correction for natural isotope abundance.

Data and analysis

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