View source: R/function_Spectra_metrics.R
rtAcquisitionRange | R Documentation |
"Upper and lower limit of time at which spectra are recorded." [PSI:QC] id: QC:4000139
#' The metric is calculated as follows: (1) the 'Spectra' object is filtered according to the MS level,
(2) the retention time values of the features within 'spectra' are obtained,
(3) the minimum and maximum retention time values are obtained and returned.
rtAcquisitionRange(spectra, msLevel = 1L, ...)
spectra |
'Spectra' object |
msLevel |
'integer' |
... |
not used here |
is_a: QC:4000004 ! n-tuple
'numeric(2)'
Thomas Naake, thomasnaake@googlemail.com
library(S4Vectors) library(Spectra) spd <- DataFrame( msLevel = c(2L, 2L, 2L), polarity = c(1L, 1L, 1L), id = c("HMDB0000001", "HMDB0000001", "HMDB0001847"), name = c("1-Methylhistidine", "1-Methylhistidine", "Caffeine")) ## Assign m/z and intensity values spd$mz <- list( c(109.2, 124.2, 124.5, 170.16, 170.52), c(83.1, 96.12, 97.14, 109.14, 124.08, 125.1, 170.16), c(56.0494, 69.0447, 83.0603, 109.0395, 110.0712, 111.0551, 123.0429, 138.0662, 195.0876)) spd$intensity <- list( 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), c(0.459, 2.585, 2.446, 0.508, 8.968, 0.524, 0.974, 100.0, 40.994)) spd$rtime <- c(9.44, 9.44, 15.84) sps <- Spectra(spd) rtAcquisitionRange(spectra = sps, msLevel = 2L)
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