get_undeuterated_mass: Mass of an undeuterated peptide
In powerHaDeX: Efficient Simulation of HDX-MS Data and Tools for the Statistical Analysis
View source: R/noisy_spectra.R
get_undeuterated_mass R Documentation
Mass of an undeuterated peptide
Description
This function gets mass of an undeuterated peptide based on its
spectrum.
Usage
get_undeuterated_mass(theoretical_spectra)
Arguments
theoretical_spectra
a data table or a list of data tables of
theoretical spectra created by the function
simulate_theoretical_spectra.
Details
For the calculations the formula below is used
undeuterated_mass = charge * Mz - p_m
where Mz is mass-to-charge ratio for the peaks from the provided
theoretical spectrum and p_m is the mass of proton equal to 1.007276.
Value
'data.table' of calculated mass value for the first peak (the
smallest one) as it is usually the peak corresponding to the monoisotopic
mass.
powerHaDeX documentation built on March 18, 2022, 7:40 p.m.
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View source: R/noisy_spectra.R
| get_undeuterated_mass | R Documentation |
Mass of an undeuterated peptide
Description
This function gets mass of an undeuterated peptide based on its spectrum.
Usage
get_undeuterated_mass(theoretical_spectra)
Arguments
theoretical_spectra |
a data table or a list of data tables of
theoretical spectra created by the function
|
Details
For the calculations the formula below is used
undeuterated_mass = charge * Mz - p_m
where Mz is mass-to-charge ratio for the peaks from the provided
theoretical spectrum and p_m is the mass of proton equal to 1.007276.
Value
'data.table' of calculated mass value for the first peak (the smallest one) as it is usually the peak corresponding to the monoisotopic mass.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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