xcms - LC-MS and GC-MS Data Analysis
Framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, mzData and mzML files. Preprocesses data for high-throughput, untargeted analyte profiling.
Last updated 2 months ago
immunooncologymassspectrometrymetabolomicsbioconductorfeature-detectionmass-spectrometrypeak-detection
181 stars 14.31 score 136 dependencies 10 dependentsmzR - parser for netCDF, mzXML and mzML and mzIdentML files (mass spectrometry data)
mzR provides a unified API to the common file formats and parsers available for mass spectrometry data. It comes with a subset of the proteowizard library for mzXML, mzML and mzIdentML. The netCDF reading code has previously been used in XCMS.
Last updated 5 days ago
immunooncologyinfrastructuredataimportproteomicsmetabolomicsmassspectrometry
42 stars 12.44 score 6 dependencies 39 dependentsCAMERA - Collection of annotation related methods for mass spectrometry data
Annotation of peaklists generated by xcms, rule based annotation of isotopes and adducts, isotope validation, EIC correlation based tagging of unknown adducts and fragments
Last updated 5 months ago
immunooncologymassspectrometrymetabolomics
11 stars 10.38 score 150 dependencies 6 dependentsRdisop - Decomposition of Isotopic Patterns
Identification of metabolites using high precision mass spectrometry. MS Peaks are used to derive a ranked list of sum formulae, alternatively for a given sum formula the theoretical isotope distribution can be calculated to search in MS peak lists.
Last updated 6 days ago
immunooncologymassspectrometrymetabolomics
4 stars 8.76 score 1 dependencies 3 dependents