dataCorrection {FAMetA}

Data correction for natural abundance of 13C and data normalization using internal standards followed by blank substraction.

Description

Data correction for natural abundance of 13C and data normalization using internal standards followed by blank substraction.

Usage

dataCorrection(
  fadata,
  correct13C = TRUE,
  blankgroup = "blank",
  externalnormalization = c(),
  resolution = 140000,
  purity13C = 0.99,
  verbose = TRUE
)

Arguments

fadata

fadata list.

correct13C

logical. If TRUE, data is corrected for natural abundance of 13C. Set to FALSE if data has been already been corrected.

blankgroup

name used to define blank samples group.

externalnormalization

column name at the metadata data frame of any additional measure that must be used to normalize data (i.e. protein).

resolution

resolution of the mass spectrometer.

purity13C

purity of the tracer employed.

verbose

print information messages.

Value

corrected fadata.

Author(s)

M Isabel Alcoriza-Balaguer <[e-mail]>

References

Su X, Lu W, Rabinowitz J (2017). Metabolite Spectral Accuracy on Orbitraps. Analytical Chemistry, 89(11), 5940-5948, PMID: 28471646, R package version 0.2.4 (2021), <https://doi.org/10.1021/acs.analchem.7b00396>.

Examples

ssdata <- dataCorrection(ssexamplefadata, blankgroup="Blank")