| mz_deco {mzDeco} | R Documentation |
mz_deco(ms1,
tolerance = "ppm:20",
baseline = 0.65,
peak.width = "3,15",
joint = FALSE,
parallel = FALSE,
dtw = FALSE,
feature = NULL,
rawfile = NULL,
sn.threshold = 1);a collection of the ms1 data or the mzpack raw data object, this parameter could also be a XIC pool object which contains a collection of the ion XIC data for run deconvolution.
the mass tolerance for extract the XIC data for run deconvolution.
a numeric vector of target feature ion m/z value for extract the XIC data.
run peak detection algorithm on mutliple xic data in parallel mode?. [as boolean]
a vector of the peak deconvolution data,
in format of xcms peak table liked or mzkit PeakFeature
data object.
the result data vector may contains the rt shift data result, where you can get this shift
value via the rt.shift attribute name, rt shift data model is clr type: RtShift.
require(mzkit);
imports "mzDeco" from "mz_quantify";
let rawdata = open.mzpack("/path/to/rawdata.mzXML");
let ms1 = rawdata |> ms1_scans();
let peaks = mz_deco(ms1, tolerance = "da:0.01", peak.width = [3,30],
dtw = TRUE);
write.peaks(peaks, file = "/data/save_debug.dat");