Efi Kontou
Efi Kontou
**Snakemake version** 6.15.5 **Conda version** conda 4.12.0 **Describe the bug** When I specify the conda env name (`.snakemake/conda/envname`) in a rule, the env is activated but then the job crashes...
It is the first time I am processing data in negative mode and I got this error from GNPSExport: ``` Error, intensity or m/z array is missing, skipping this spectrum...
MetaboliteSpectralMatcher currently only accepts mzML files as library input files, but it would be great to have the option to add MGF files. GNPS for example only gives you the...
Just a small "bug" or request: This algorithm produces a large output that I cannot remove with `-no_progress` that looks like this: `Found no signal. The Gaussian width is probably...
For SiriusAdapter, it is important that the convex hulls are removed from the featureXML files. I currently import pyopenms and work with a small script, but for the snakemake workflow,...
Before and after re-quantification the intensities often differ and after manual testing, FFM has a more reasonable result. I am working again with the benchmark data [MTBLS733](https://www.ebi.ac.uk/metabolights/MTBLS733/files) and I know...
In the [MTBLS733](https://www.ebi.ac.uk/metabolights/MTBLS733/files) dataset where FFM can detect 784 features, FFMident only extracts 712 of them- many of the missing features were annotated with charge 0 from FFM and that...