ptrSet-class {ptairMS} | R 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`

[Package ptairMS version 1.2.0 Index]