Yasin El Abiead

MetaboliteAdductDecharger - multimer annotation

7

Hello and thank you for your tool! I was wondering if there is a way for MetaboliteAdductDecharger to annotate multimeric adducts like [2M+H]+, or if there is another way in...

MS2 spectra without a precursor charge are ignored

14

Hello, I was trying to cluster mzXML files from https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=88a7dfeeecb74131a6d6bfb7a9db0a46 in WSL:Ubuntu-22.04 but it does not seem to recognize any spectra. My parameters and output are below: ``` falcon BAX89_BA1_01_23240.mzXML...

Hello SIRIUS scientists :) in SIRIUS 6.0.0 under Windows 11 I am still running into the same problem as described in https://github.com/sirius-ms/sirius/issues/106 which has been marked as completed. Specifically, creating...

Automatic FWHM estimation in FeatureFinderMetabo

1

Hello, in the original FeatureFinderMetabo paper I found the sentence "The mass trace detection algorithm offers the option to automatically infer a good estimate of Δt0.5 based on the data."....