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Can parameters obtained from IPO's grouping optimization be used in both the alignment and grouping steps using PeakGroupsParam during alignment?
Can the parameters optimized by IPO for peak grouping be used for both the alignment and grouping steps? I don't want to use the IPO-optimized orbiwarp results, but it seems IPO states that it can only optimize the orbiwarp method for alignment: "The method getDefaultRetGroupStartingParams only supports one retention time correction method (obiwarp) and one grouping method (density) at the moment.
Like this:?
Set initial density parameters
pdp <- PeakDensityParam(sampleGroups = pheno$Group, bw = 10, minFraction = 0.772, binSize = 0.01)
First grouping
mse <- groupChromPeaks(data, pdp)
Adjust retention time using peak groups parameters
pgm <- adjustRtimePeakGroups(mse, PeakGroupsParam(minFraction = 0.772))
Adjust retention time parameters
pgp <- PeakGroupsParam(minFraction = 0.772, span = 0.6) mse <- adjustRtime(mse, param = pgp)
Second grouping using the same density parameters
mse2 <- groupChromPeaks(mse, pdp)
The parameters bw = 10, minFraction = 0.772, binSize were obtained from IPO's grouping optimization. Can these parameters be used in both the alignment and grouping steps like this?