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bioc
ProtGenerics:Generic infrastructure for Bioconductor mass spectrometry packages
S4 generic functions and classes needed by Bioconductor proteomics packages.
Maintained by Laurent Gatto. Last updated 3 months ago.
infrastructureproteomicsmassspectrometrybioconductormass-spectrometrymetabolomics
8 stars 9.36 score 4 scripts 188 dependentsbioc
CompoundDb:Creating and Using (Chemical) Compound Annotation Databases
CompoundDb provides functionality to create and use (chemical) compound annotation databases from a variety of different sources such as LipidMaps, HMDB, ChEBI or MassBank. The database format allows to store in addition MS/MS spectra along with compound information. The package provides also a backend for Bioconductor's Spectra package and allows thus to match experimetal MS/MS spectra against MS/MS spectra in the database. Databases can be stored in SQLite format and are thus portable.
Maintained by Johannes Rainer. Last updated 3 months ago.
massspectrometrymetabolomicsannotationdatabasesmass-spectrometry
17 stars 8.35 score 69 scripts 1 dependents
rickhelmus
patRoon:Workflows for Mass-Spectrometry Based Non-Target Analysis
Provides an easy-to-use interface to a mass spectrometry based non-target analysis workflow. Various (open-source) tools are combined which provide algorithms for extraction and grouping of features, extraction of MS and MS/MS data, automatic formula and compound annotation and grouping related features to components. In addition, various tools are provided for e.g. data preparation and cleanup, plotting results and automatic reporting.
Maintained by Rick Helmus. Last updated 12 days ago.
mass-spectrometrynon-targetcppopenjdk
65 stars 6.24 score 43 scriptsbioc
MsBackendMassbank:Mass Spectrometry Data Backend for MassBank record Files
Mass spectrometry (MS) data backend supporting import and export of MS/MS library spectra from MassBank record files. Different backends are available that allow handling of data in plain MassBank text file format or allow also to interact directly with MassBank SQL databases. Objects from this package are supposed to be used with the Spectra Bioconductor package. This package thus adds MassBank support to the Spectra package.
Maintained by RforMassSpectrometry Package Maintainer. Last updated 1 months ago.
infrastructuremassspectrometrymetabolomicsdataimportmassbankspectra
3 stars 5.81 score 27 scripts