| getNetCDF {IDSL.MXP} | R Documentation |
getNetCDF
Description
This function returns a list of two data objects needed for the mass spectrometry data processing.
Usage
getNetCDF(MSfile)
Arguments
MSfile |
name of the mass spectrometry file with .cdf extension |
Value
scanTable |
a dataframe of different scan properties including 'seqNum', 'msLevel', 'polarity', 'peaksCount', 'totIonCurrent', 'retentionTime', 'basePeakMZ', 'basePeakIntensity', 'collisionEnergy', 'lowMZ', 'highMZ', 'precursorScanNum', 'precursorMZ', 'precursorCharge', 'precursorIntensity', 'injectionTime', 'filterString', 'scanType', 'centroided', 'isolationWindowTargetMZ', 'isolationWindowLowerOffset', 'isolationWindowUpperOffset', 'scanWindowLowerLimit', and 'scanWindowUpperLimit'. |
spectraList |
a list of matrices of m/z and intensity values for each chromatogram scan |
Note
‘retentionTime' column in the 'scanTable’ object is presented in minute.