I am new to unsing the bioconductor software, and recently I have been using xcmsSet() to find peaks and report masses from LCMS .cdf files. this gives me a dataframe with Masses and scan times, but the masses are often reported only up to one decimal point precision. I want additional significant figures. Is is possible to do this? I was looking into using from the documentation:
c <- xcmsRaw(path, profstep=0.1, profmethod="bin")
p <- findPeaks.centWave(c, ppm=10)
values <- groupval(p, value="into")
but I am having problems with that method. I want a dataframe that looks like:
WMMC122B_F301
177/887 868.5530
178/886 478.4295
179/887 946.3629
181/802 479.6062
191/889 236.8821
195/886 7801.7750
but with the first column having more significant figures, ex: 177.872
Thank you in advance
SessionInfo()
R version 3.2.0 (2015-04-16)
Platform: x86_64-w64-mingw32/x64 (64-bit)
Running under: Windows 7 x64 (build 7601) Service Pack 1
locale:
[1] LC_COLLATE=English_United States.1252 LC_CTYPE=English_United States.1252
[3] LC_MONETARY=English_United States.1252 LC_NUMERIC=C
[5] LC_TIME=English_United States.1252
attached base packages:
[1] parallel stats graphics grDevices utils datasets methods base
other attached packages:
[1] xcms_1.44.0 Biobase_2.28.0 ProtGenerics_1.0.0 BiocGenerics_0.14.0
[5] mzR_2.2.1 Rcpp_0.11.6
loaded via a namespace (and not attached):
[1] tools_3.2.0 codetools_0.2-11