RumDB reported an ID, which didn't get suggested in Maven

eugenemel / maven

Maven GUI: Metabolomics Analysis and Visualization Engine

https://github.com/eugenemel/maven/releases

GNU General Public License v3.0

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RumDB reported an ID, which didn't get suggested in Maven #106

Closed ngoccalico closed 4 years ago

ngoccalico commented 4 years ago

After running MzKit to generate a rumDB, I matched peaks with Maven, however, ID labeled on RumDB didn't show up as the suggested compound in compound search of Maven. I increased the precursor ppm to 20, yet, the ID labeled by MzKit still didn't make the list.

PMSeitzer commented 4 years ago

This is a problem in mass_spec, will be fixed in mzkitchen 10 Please hold off on running this dataset until the bug is fixed.

PMSeitzer commented 4 years ago

Using mzkitchen 10 with correct adducts, should be no problem.