| ptrSet-class {ptairMS} | 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.
parameterthe input parameters value of the function
createPtrSet and detectPeak
sampleMetadatadataframe of sample metadata, with file names in row names, suborders names and acquisition date in columns
dateacquisition date for each file
mzCalibRefthe masses used for calibration for each file
signalCalibRefthe spectrum of mass calibration for each file
errorCalibPpmthe calibration error for each file
coefCalibthe coefficients of mass axis calibration of each calibration periods for each file
indexTimeCalibindex time of each calibration period for each file
primaryIonthe quantity in count per acquisition time of the isotope of primary ion for each file
resolutionestimation of the resolution for each file based on the calibration reference masses
prtReactiondrift information (temperature, pressure and voltage)
ptrTransmisisontransmission curve for each file
TICthe total ion current (TIC) for each file
breathTracerthe tracer for expiration/head spaces detection
timeLimitthe index of time limit for each file
knotsnumeric vector correspond to the knot that will be used for the two dimensional regression for each file
fctFitthe peak function used for peak deconvolution for each file
peakShapeaverage normalized peak shape of the calibration peak for each file
peakListindividual peak list in eSet