README.md
In sneumann/RMassBank: Workflow to process tandem MS files and build MassBank records
RMassBank
Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.
Authors: Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, with contributions from Tobias Schulze
Maintainer: RMassBank at Eawag
Citation (from within R, enter citation("RMassBank")):
Stravs MA, Schymanski EL, Singer H and Hollender J (2013). “Automatic Recalibration and Processing of Tandem Mass Spectra using Formula Annotation.” Journal of Mass Spectrometry, 48(1), pp. 188.
Continuous integration
The RMassBank project master branch is subjected to CI using travis:
New Main Branch
We moved the default branch from master to main to get rid of this offensive term.
sneumann/RMassBank documentation built on Oct. 20, 2020, 3:19 p.m.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
RMassBank
Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.
Authors: Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, with contributions from Tobias Schulze
Maintainer: RMassBank at Eawag
Citation (from within R, enter citation("RMassBank")):
Stravs MA, Schymanski EL, Singer H and Hollender J (2013). “Automatic Recalibration and Processing of Tandem Mass Spectra using Formula Annotation.” Journal of Mass Spectrometry, 48(1), pp. 188.
Continuous integration
The RMassBank project master branch is subjected to CI using travis:
New Main Branch
We moved the default branch from master to main to get rid of this offensive term.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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