CHANGES IN VERSION 1.3.9 ========================= * Added very basic SIMS stitch compatibility * pcalc can handle NAs * Update of purityX to handle obiwarp RT correction (requires recording the RT RAW at an earlier step) * bug fix for when library spectra is bigger than target spectra (thanks Martin) CHANGES IN VERSION 1.3.1 ========================= * Add spectral matching functionality for LC-MS/MS CHANGES IN VERSION 1.1.1 ========================= * Added pcalc functions to be used by user * Added option to remove isotopes from calculation CHANGES IN VERSION 0.99.10/11/12 ========================= * Troubleshooting windows build failure CHANGES IN VERSION 0.99.9 ========================= * Offset bug fixed (previous only using extracting lower offset from mzML file) * Updated handling of RT corrected xcmsSet objects for frag4feature function * Additional column added for tracking ms/ms spectra CHANGES IN VERSION 0.99.8 ========================= * User option to change the mzR backend library CHANGES IN VERSION 0.99.4/5/6/7 ========================= * Troubleshooting mac build failure CHANGES IN VERSION 0.99.3 ========================= * Grouping multiple peaklist into one wide dataframe ** Peaklists can now be averaged across each class using the function groupPeaks() for the class purityD ** A list of dataframes can also be grouped togther using the function groupPeakEx() CHANGES IN VERSION 0.99.2 ========================= * Updated class names purityPD to purityD * Updated class names purityLC to purityX * Updated vignette to reflect slightly different terminology * Added normalised TIC option for purityD msPurity v0.99.0 (Release date: 2016-04-08) ========================= Initial release!