Include cstdint to fix compile error with gcc 13.1.0
Added direct reading of peak lists from command line arguments (suggested by Nikiforos Alygizakis)
Renamed maltopentaose spectra
Patch: Maximum number of candidates
Thanks Rick, I have applied your patch and committed the new revision. Best, Markus
introduced option max as proposed by Rick
Added LR-MS comparison methods from Scott and Stein (1994), not accessibly by options of the CLI
Minor revision of GenRegOMP (type of variables for counting)
Add number of AAs defining the bounding box for better sets
Add analysis of multiply occurring property values
Add separate counting of samples with better range and with coverage
Add output of AAs occupying min and max property values
Fix static link on linux
Initial check-in (internal r183)
Option kfer added (element ratio ranges of "7 Golden Rules" by Kind & Fiehn)
Added GenRegOMP, a simple OpenMP wrapper for GenReg
License file added as required by GPL and bioconda (request by UFZ for use on GALAXY server)
Bugfix: type of iPos in ParseCommandLine()
Minor adduct fixes
Thanks again, Rick!
Minor adduct fixes
Thanks again, Rick!
oc option does not work
Bugfix in definition of adduct info
Hi Rick, thanks for bug report! Fixed it. Best, Markus
Bugfix in ElementIntervalMap::SetInterval()
GenForm
Revision for option oclean to work independent ...
Options intens and oclean added