get_deuteration_curve_single_spectrum: Get a deuteration curve from a single spectrum
In hadexversum/powerHDX: Efficient Simulation of HDX-MS Data and Tools for the Statistical Analysis
View source: R/noisy_spectra.R
get_deuteration_curve_single_spectrum R Documentation
Get a deuteration curve from a single spectrum
Description
This funtion calculates deuterium uptake from spectra.
Usage
get_deuteration_curve_single_spectrum(spectrum)
Arguments
spectrum
data.table with a spectrum being an element of list created
by get_spectra_list and
add_noise_to_spectra functions.
Details
The centroid mass value from spectrum is calculated as a weighted
mean from peaks based on the formulas
M = charge * (Mz - p_m)
and
m = 1/N ∑_{k = 1}^{N} I_k M_k.
Value
data.table containing one deuterium uptake curve.
hadexversum/powerHDX documentation built on Aug. 31, 2022, 7:47 p.m.
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View source: R/noisy_spectra.R
| get_deuteration_curve_single_spectrum | R Documentation |
Get a deuteration curve from a single spectrum
Description
This funtion calculates deuterium uptake from spectra.
Usage
get_deuteration_curve_single_spectrum(spectrum)
Arguments
spectrum |
data.table with a spectrum being an element of list created
by |
Details
The centroid mass value from spectrum is calculated as a weighted mean from peaks based on the formulas
M = charge * (Mz - p_m)
and
m = 1/N ∑_{k = 1}^{N} I_k M_k.
Value
data.table containing one deuterium uptake curve.
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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