ptrRaw: PTR-TOF-MS raw data from a rhdf5 file

In camilleroquencourt/ptairMS: Pre-processing PTR-TOF-MS Data

PTR-TOF-MS raw data from a rhdf5 file

Description

A ptrRaw object contains PTR-TOF-MS raw data from one rhdf5 file. It is created with the readRaw function.

Slots

name

the file name

rawM

the raw intensities matrix

mz

array of the m/z axis

time

numeric vector of acquisition time (in seconds)

calibMzToTof

function to convert m/z to Tof

calibToftoMz

function to convert tof to m/z

calibCoef

calibration coefficients (a,b) such that: mz= ((tof-b)/a)^2 for each calibration period

indexTimeCalib

index time of each calibration period

calibMassRef

the reference masses used for the calibration

calibError

the shift error in ppm at the reference masses

calibSpectr

the spectrum of calibration reference masses

peakShape

average normalized peak shape of the calibration peak

ptrTransmisison

matrix with transmission values

prtReaction

a list containing PTR reaction information: drift temperature, pressure and voltage

date

acquisition date and hour

peakList

individual peak list in eSet

fctFit

the peak function used for peak deconvolution for each file

resolution

estimation of the resolution for each file based on the calibration reference masses

primaryIon

the quantity in count per acquisition time of the isotope of primary ion for each file

References

https://www.hdfgroup.org

camilleroquencourt/ptairMS documentation built on April 19, 2024, 1:27 p.m.