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README.md
In 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.
Branch and merge policy
We aim to have a main branch that is in sync with BioC master and always passes the Travis CI checks.
All development should take place in the dev branch and via Pull Requests.
Note: to push towards BioC you can git checkout master (which is the BioC master), then merge the github branch via git merge main and git push upstream master (assuming the BioC remote is called upstream as recommended).
Try the RMassBank package in your browser
Any scripts or data that you put into this service are public.
RMassBank documentation built on Nov. 8, 2020, 6:06 p.m.
R Package Documentation
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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.
Branch and merge policy
We aim to have a main branch that is in sync with BioC master and always passes the Travis CI checks.
All development should take place in the dev branch and via Pull Requests.
Note: to push towards BioC you can git checkout master (which is the BioC master), then merge the github branch via git merge main and git push upstream master (assuming the BioC remote is called upstream as recommended).
Try the RMassBank package in your browser
Any scripts or data that you put into this service are public.
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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