see if any features match a given mass, and whether they are plausibly M0
findmass(
ramclustObj = NULL,
mz = NULL,
mztol = 0.02,
rttol = 2,
zmax = 6,
m.check = TRUE
)returns a table to the console listing masses which match, their retention time and intensity, and whether it appears to be plausible as M0
R object: the ramclustR object to explore
numeric: mz value to search for
numeric: absolute mass tolerance around mz
numeric: when examining isotope patterns, feature retention time tolerance around features matching mz +- mztol
integer: maximum charge state to consider. default is 6.
logical: check whether the matching masses are plausibly M0. That is, we look for ions 1 proton mass (from charge state 1:zmax) below the target m/z at the same time that have intensities consistent with target ion being a non-M0 isotope.
Corey Broeckling
a convenience function to perform a targeted search of all feaures for a mass of interest. Also performs a crude plausibility check as to whether the matched feature could be M0, based on the assumption of approximately 1 carbon per 17 m/z units and natural isotopic abundance of 1.1