Added direct reading of peak lists from command line arguments (suggested by Nikiforos Alygizakis)
Renamed maltopentaose spectra
Excellent, thanks!
Thanks Rick, I have applied your patch and committed the new revision. Best, Markus
Patch: Maximum number of candidates
introduced option max as proposed by Rick
Added LR-MS comparison methods from Scott and Stein (1994), not accessibly by options of the CLI
Patch: Maximum number of candidates
Option kfer added (element ratio ranges of "7 Golden Rules" by Kind & Fiehn)
License file added as required by GPL and bioconda (request by UFZ for use on GALAXY server)
Bugfix: type of iPos in ParseCommandLine()
Excellent! Thanks again for the speedy fix.
Minor adduct fixes
Thanks again, Rick!
Minor adduct fixes
Thanks again, Rick!
oc option does not work
Bugfix in definition of adduct info
Minor adduct fixes
Hi Rick, thanks for bug report! Fixed it. Best, Markus
Bugfix in ElementIntervalMap::SetInterval()
oc option does not work
GenForm
Revision for option oclean to work independent ...
Options intens and oclean added
Bugfix: raise lower element limits to guarantee...
Initial check-in (internal rev18)