isotopeAnnotation: isotopeAnnotation
In prafols/rMSIproc: MSI Processing in C++

Finds and evaluate isotope candidates for each ion mass.

isotopeAnnotation(
  PeakMtx,
  isoNumber = 2,
  tolerance = 30,
  charge = 1,
  scoreThreshold = 0.8,
  toleranceUnits = "ppm",
  imageVector = NULL
)

`PeakMtx`	List. An rMSIprocPeakMatrix. Must contain at least the following categories: PeakMtx$intensity. A matrix containg the intensities of the peaks for each pixel (rows = pixels, cols = peaks). PeakMtx$mass. A vector containg the masses of each peak. Must be in the same order with the columns of the intensity marix. PeakMtx$numPixels. Number of pixels (rows in your matrix).
`isoNumber`	Integer. Number of isotopes to be found.
`tolerance`	Integer. Mass tolerance for the candidates in scans or ppms.
`charge`	Integer. Charge of the patterns to be found.
`scoreThreshold`	Numeric. Score value to consider a ion mass a good isotope candidate. Only the ions that have this number or greater will undergo the following isotope searching stages.
`toleranceUnits`	String. Must be 'ppm' or 'scan'. If ToleranceUnits is 'scan' then ImageVector must be the mass channels vector of the rMSI image (rMSIObj$mass).
`imageVector`	Numeric Vector. The mass channels vector of the imaging dataset containing all the scans.