RELEASE HISTORY OF THE "MALDIquant" PACKAGE =========================================== Version 1.6 [2013-03-01]: - Add interactive plot method: iplot. - Add TopHat baseline estimation: estimateBaseline(..., method="TopHat")/ removeBaseline(..., method="TopHat"). - .which.closest: rounding .5 to the next highest integer (before: to the next lowest one); affected functions: labelPeaks. - estimateBaseline(..., method="Median"): do not allow a window size > n (fixes #4). - .doByLabels: fix an error that occurred if all labels were unique (fixes #1); affected functions: filterPeaks, mergeMassPeaks, mergeMassSpectra. - Include tests in inst/tests. Version 1.5 [2012-12-06]: - Add movingAverage. - labelPeaks: add labels argument. - detectPeaks: only throw an error if windowSize > length (windowSize == length is no error anymore). - .doByLabels: drop unused levels of argument "labels"; affected functions: filterPeaks, mergeMassPeaks, mergeMassSpectra. - Rewrite localMaxima in C to reduce running time and memory consumption. Version 1.4 [2012-10-30]: - Add slot "snr" to MassPeaks. - Change demo licences. - binPeaks/referencePeaks: add argument method=c("strict", "relaxed"); "relaxed" allows multiple peaks of the same spectrum in a bin. - labelPeaks: remove tolerance argument (now always select the closest one). - mergeMassPeaks/mergeMassSpectra: merge metaData, too. - detectPeaks: new example for a custom noise estimation function. - detectPeaks: change internal snr handling. - Add .estimateNoiseMad (same implementation as old estimateNoise method), .estimateNoiseSuperSmoother. - estimateNoise: add method argument, change return value to two column matrix. - show: rewrite (OO design). - calibrate: add ... to generic definition of calibrate. Version 1.3 [2012-09-16]: - Add trim and [ methods. - Fix isMassSpectrumList. - detectPeaks: add error message if windowSize >= length. - determineWarpingFunctions: add error message if it could not match any peak to reference peaks. - labelPeaks: add avoidOverlap argument to avoid overlapping of peak labels. - labelPeaks: change default value for verticalOffset argument. - labelPeaks: remove family argument. - Update DESCRIPTION file to use Authors@R and depends on R>=2.14 now. - Add CITATION file. Version 1.2 [2012-07-18]: - determineWarpingFunctions: stop with an error if reference MassPeaks object is empty. - .doByLabel: preserve list order (affects filterPeaks). - Replace some sapply calls by lapply. 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.