dot-rtOrderSpectra: Order Spectra according to increasing retention time

Description Usage Arguments Details Value Author(s) Examples

Description

The function '.rtOrderSpectra' orders the features in a 'Spectra' object according to the (increasing) retention time values.

Usage

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.rtOrderSpectra(spectra)

Arguments

spectra

'Spectra' object

Details

Internal function in quality metric functions.

Value

'Spectra' object with the features ordered according to the (increasing) retention time

Author(s)

Johannes Rainer

Examples

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library(S4Vectors)
library(Spectra)

spd <- DataFrame(
    msLevel = c(2L, 2L, 2L),
    polarity = c(1L, 1L, 1L),
    id = c("HMDB0001847", "HMDB0000001", "HMDB0000001"),
    name = c("Caffeine", "1-Methylhistidine", "1-Methylhistidine"))
## Assign m/z and intensity values
spd$mz <- list(
    c(56.0494, 69.0447, 83.0603, 109.0395, 110.0712,
        111.0551, 123.0429, 138.0662, 195.0876),
    c(109.2, 124.2, 124.5, 170.16, 170.52),
    c(83.1, 96.12, 97.14, 109.14, 124.08, 125.1, 170.16))
spd$intensity <- list(
    c(0.459, 2.585, 2.446, 0.508, 8.968, 0.524, 0.974, 100.0, 40.994),
    c(3.407, 47.494, 3.094, 100.0, 13.240),
    c(6.685, 4.381, 3.022, 16.708, 100.0, 4.565, 40.643))
spd$rtime <- c(15.84, 9.44, 9.44)
sps <- Spectra(spd)
MsQuality:::.rtOrderSpectra(sps)

tnaake/MsQuality documentation built on Jan. 14, 2022, 7:34 p.m.