v1.28.0+galaxy0 - Githubissues

computational-metabolomics / mspurity-galaxy

Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching

GNU General Public License v3.0

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Closed Tomnl closed 5 months ago

Tomnl commented 5 months ago

Version bump to v1.28.0
createMSP now uses the median precursor MZ and precursor RT in the MSP files
flagRemove updated to handle different xcms version objects internally within msPurity R function
Relevant unit tests updated and further tidying up of repo