ptrSet: A set of PTR-TOF-MS raw data informations

ptrSet-classR Documentation

A set of PTR-TOF-MS raw data informations

Description

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.

Slots

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


camilleroquencourt/ptairMS documentation built on June 9, 2024, 10:35 a.m.