search

nf-core / metaboigniter

Pre-processing of mass spectrometry-based metabolomics data with quantification and identification based on MS1 and MS2 data.
https://nf-co.re/metaboigniter
MIT License
16 stars 15 forks source link

C13 detection will always be performed regardless of adduct detection option #78

Closed PayamEmami closed 7 months ago

PayamEmami commented 10 months ago

C13 detection should be switched off if the adduct detection is disabled. Or it should have its parameter.

https://github.com/nf-core/metaboigniter/blob/2f8f077d38fcacd2caef9590dc557ddcc17c78c6/subworkflows/local/annotation.nf#L30C1-L31C1

PayamEmami commented 10 months ago

This is only used in identification. So when identification is set, we can do C13 detection