| weightM | R Documentation |
Builds a c (number of compounds) by m (number of masses) matrix of compound likelihoods with the gaussian error function erf, based on mass accuracy and optionally on isotopic patterns.
weightM(isoPatt, useIso = TRUE, intervals = NULL,
offset = NULL, massWeigth = 1, likelihood = "erfc",
precision = 1)
isoPatt |
is the likelihood data.frame generated by incorporate.isotopes function, or reactionM the data.frame of compound's information. |
useIso |
logical indicating whether to use or not isotope information in the likelihood. |
intervals |
a vector of SNR numerical intervals, to which different carbon offset should be added to predicted C-number. |
offset |
vector of empirically estimated carbon offset to be added to predicted C-number. |
massWeigth |
is the contribution parameter of the probabilistic model. |
likelihood |
which noise model to use, "erfc" to complementary error function, or "gaussian" to standard gaussian with two sd corresponding to the given p.p.m precision. |
precision |
equipment mass accuracy, usually the same used in exact mass search. |
A matrix wm of likelihood weights.