A tiny parser to extract mass spectra data and metadata from mzML and mzXML files.

Parser for mzML, mzXML, and netCDF Files (Mass Spectrometry
Data)
A tiny parser to extract mass spectra data and metadata table of MS acquisition properties from mzML, mzXML and netCDF mass spectrometry files.

A simplified version of the 'IDSL.UFA' package to calculate isotopic profiles and adduct formulas from molecular formulas with no dependency on other R packages for online tools.

A simplified version of the 'IDSL.UFA' package to calculate isotopic profiles and adduct formulas from molecular formulas with no dependency on other R packages for online tools. The IDSL.SUFA package has functions to process user-defined adduct formulas.

Ultimate Formula Annotation (UFA) for HRMS Data Processing
Rcpp, BiocManager, mzR, readxl, parallel, doSNOW, foreach,
stringi, IDSL.IPA (>= 1.3), GA, doParallel, ggplot2, gridExtra
A pipeline to annotate peaklists from the IDSL.IPA package with molecular formula
using an isotopic profile matching approach.

United Formula Annotation (UFA) for HRMS Data Processing
IDSL.MXP, xml2, base64enc, IDSL.IPA (>= 1.4), stats, grid,
readxl, parallel, doSNOW, foreach, GA, doParallel, ggplot2,
gridExtra

IDSL.MXP (>= 1.2), xml2, RNetCDF, base64enc, IDSL.IPA (>=
1.5), stats, grid, readxl, parallel, doParallel, foreach, GA,
ggplot2, gridExtra
A pipeline to annotate peaklists from the IDSL.IPA package with molecular formula using an isotopic profile matching approach. The IDSL.UFA pipeline is especially beneficial when MS/MS data channels are not available. The IDSL.UFA package has functions to process user-defined adduct formulas.

A pipeline to annotate peaklists from the IDSL.IPA package with molecular formula using an isotopic profile matching approach. The IDSL.UFA pipeline is especially beneficial when MS/MS data are not available. The IDSL.UFA package has functions to process user-defined adduct formulas.

IDSL.MXP (>= 1.4), xml2, RNetCDF, base64enc, IDSL.IPA (>=
1.7), stats, grid, readxl, parallel, doParallel, foreach, GA,
ggplot2, gridExtra