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Added extended findPeaks function #50
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…sitive detection of isotope peaks based on predicted isotope ROIs
@@ -305,7 +305,8 @@ setMethod("findPeaks.matchedFilter", "xcmsRaw", | |||
setMethod("findPeaks.centWave", "xcmsRaw", function(object, ppm=25, peakwidth=c(20,50), snthresh=10, | |||
prefilter=c(3,100), mzCenterFun="wMean", integrate=1, mzdiff=-0.001, | |||
fitgauss=FALSE, scanrange= numeric(), noise=0, ## noise.local=TRUE, | |||
sleep=0, verbose.columns=FALSE, ROI.list=list()) { | |||
sleep=0, verbose.columns=FALSE, ROI.list=list(), | |||
perform1stBaselineCheck=TRUE, roiScales=NULL) { |
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Some comments here:
- Is there a need to add these new parameters at all? They are not needed by your new
findPeaks
method. - Rename
perform1stBaselineCheck
tofirstBaselineCheck
. - You should perform some input argument checking, i.e. that length
roiScales
matches length ofROI.list
and thatroiScales
contains numeric values. - Most importantly however: document the new arguments in the corresponding Rd file.
Dear Hendrik, first of all, thanks for your contribution! General comment (summarizing the above notes):
|
…and bug fix regarding scantime ranges
… more modular methods; removed parameter list and added individual parameters instead; added documentation for new methods
Merge branch 'devel' of https://github.com/sneumann/xcms into devel Conflicts: NAMESPACE R/AllGenerics.R R/methods-xcmsRaw.R inst/unitTests/runit.findPeaksCentWaveWithIsotopeROIs.R
|
Hi @HendrikTreutler , this still has issues
|
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