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New adducts defined by @Treutler in leCsvAccess.R:
https://github.com/MassBank/RMassBank/blob/1d078a8f9d5625e1a4000329d78ddb1c9c4445b6/R/leCsvAccess.R#L359
However, old definitions still exist i…
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**Bug description**
I get the following error message every time when trying to upload .mzml files into SIRIUS (v. 6.0.6):
Error when importing data! Cause: java.lang.Exception: com.fasterxml.jack…
sra34 updated
2 weeks ago
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When adding a spectrum for annotation, there is a list of adducts but this list is not complete. Maybe we can add "other" as an option for more rare adducts that we might want to annotate in GNPS...
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Dear Shipei Xing,
Congratulations for this great work!
Is there any way to inform the adduct in the MGF per ion? something like:
ADDUCT=[M+Cl]-
IONMODE= Negative
Or by command line?
If this …
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![image](https://github.com/StructuralGenomicsConsortium/CN…
qxsml updated
4 months ago
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Hey,
i am trying to use MAGMa-plus. I have downloaded everything accordingly and am trying to compute the example given.
Everything works fine until i enter this command from the example:
py…
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The sirius formula documentation states that multiple adducts can be input using a comma separated list. When I use the generateFormulas function, I get an error when inputting a comma separated list …
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Hello，Dr. Neumann
I am using the CAMERA package to annotate the metabolite standards data and the adducts of these standards are not being annotated correctly. I think there may be a problem with fin…
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Hi,
this is for version plotms 5.2.
Noble gases that we use as collision gases can sometimes form adducts.
While rare it could be a possibility and has been observed before.
References:
https…
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I noticed that OpenMS misses to correctly group some isotpe and adduct peaks.
This is based on FeatureFindingMetabo and MetaboliteFeatureDeconvolution.
In my opinion, the computation of the overla…