Problems with the isotopes GUI

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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Problems with the isotopes GUI #718

Closed PMSeitzer closed 6 months ago

PMSeitzer commented 7 months ago

Bookmark a peak group, not respecting the merge isotopes option

PMSeitzer commented 7 months ago

dataset: X0315 M022A

C27H44 [M+H]+ deuterium labeling, expect to see 13C isotopes (but only from natural abundance) not combining/merging properly, some samples show this missing, others do not

PMSeitzer commented 6 months ago

Tested this out, and it turns out that the merge overlapping isotopes option is being respected. There must have been some other reason why the two isotopes appeared separately in the bookmarking.

Closing this for now, though there still may be issues that come up in the future.