RELEASE HISTORY OF THE "MALDIquant" PACKAGE =========================================== Version 1.1 [2012-05-06]: - detectPeaks: remove localMaxima argument - detectPeaks: replace noise argument by fun - removeBaseline: replace baseline argument by fun - labelPeaks: use par("usr") to calculate default verticalOffset - labelPeaks: add absoluteVerticalPos argument - plot: change "sub" for merged spectra/peaks - intensityMatrix: remove argument replaceByNa - determineWarpingFunctions, warpMassSpectra, warpMassPeaks now require lists as arguments and return a list - calibrate: works only on matrices now - Add totalIonCurrent method (replacement for calibrate function on MassSpectrum objects) - Add methods accepting lists as arguments: transformIntensity, removeBaseline, detectPeaks - Replace all lapply calls by new methods in demonstration scripts - Allow only numeric values for intensity<- and mass<- - Rename findLocalMaxima to .findLocalMaxima and hide by NAMESPACE - Rename dataset spectra in fiedler2009subset - Remove peaks dataset Version 1.0 [2012-03-28]: - Add demonstration scripts - Add functions: binPeaks, determineWarpingFunctions, filterPeaks, isMassObject, isMassPeaks, isMassSpectrum, mergeMassPeaks, mergeMassSpectra, referencePeaks, warpMassPeaks, warpMassSpectra - Change NAMESPACE - Hide imputeMass method because it fails on Bruker Daltonics' CompassXport 32bit output - Add \keyword{internal} to estimateBasline*-functions.Rd - Rename labelPeaks' argument massTolerance into tolerance - Replace dataset sA1/pA1 by spectra/peaks (containing 16 example spectra) Version 0.5 [2012-01-18]: - Add imputeMass method - Rewrite intensityMatrix function (little speed improvement) Version 0.4 [2011-08-04]: - Add functions: isMassObjectList, isMassPeaksList, isMassSpectrumList, findEmptyMassObjects, removeEmptyMassObjects, intensityMatrix and calibrate (only TIC supported up to now) - Change default value for verticalOffset argument in labelPeaks - Add mass and massTolerance argument to labelPeaks - Rename AbstractMassSpectrumData to AbstractMassObject - Add pA1 dataset Version 0.3 [2011-05-28]: - Add transformIntensity, estimateNoise, findLocalMaxima, detectPeaks and points method - Add createMassPeaks constructor - Replace .estimateBaselineMovingEstimator by .estimateBaselineMedian (uses runmed instead of an own slow movingEstimator function) - Remove fdrtool dependency and rewrite .estimateBaselineConvexHull in C - Rename SingleSpectrum class to MassSpectrum - Rename SinglePeakList class to MassPeaks - Rewrite labelPeaks (some arguments changed) - Move importing functions to the following R-packages: readBrukerFlexData, readMzXmlData - Bugfix: change .C(..., DUP=F) to .C(..., DUP=T) in .estimateBaselineSnip to avoid changes of global variables Version 0.2 [2011-03-29]: - Add baseline correction algorithm SNIP (implemented in C) [default] - Add MovingEstimator and ConvexHull baseline estimation algorithm - Add as.matrix, intensity, length, lines, mass and metaData methods - Add basic SinglePeakList class, adopt plot and lines, add labelPeaks (still useless) Version 0.1 [2011-02-22]: - First public release - Up to now only importing and plotting of a single mass spectrum are supported