ptrSet-class | R Documentation |
A ptrSet object is related to a directory that contains several PTR-TOF-MS
raw data in rhdf5 format. It is created
with the createPtrSet
function. This object could be
updated when new files are added with the updatePtrSet
function.
parameter
the input parameters value of the function
createPtrSet
and detectPeak
sampleMetadata
dataframe of sample metadata, with file names in row names, suborders names and acquisition date in columns
date
acquisition date for each file
mzCalibRef
the masses used for calibration for each file
signalCalibRef
the spectrum of mass calibration for each file
errorCalibPpm
the calibration error for each file
coefCalib
the coefficients of mass axis calibration of each calibration periods for each file
indexTimeCalib
index time of each calibration period for each file
primaryIon
the quantity in count per acquisition time of the isotope of primary ion for each file
resolution
estimation of the resolution for each file based on the calibration reference masses
prtReaction
drift information (temperature, pressure and voltage)
ptrTransmisison
transmission curve for each file
TIC
the total ion current (TIC) for each file
breathTracer
the tracer for expiration/head spaces detection
timeLimit
the index of time limit for each file
knots
numeric vector correspond to the knot that will be used for the two dimensional regression for each file
fctFit
the peak function used for peak deconvolution for each file
peakShape
average normalized peak shape of the calibration peak for each file
peakList
individual peak list in eSet
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