Louis-Félix Nothias

[GNPS] Missing information about the file conversion with the Schimadzu file format

3

I think @allegra-aron has some informations about it.

This is the only part that is not covered in the FBMN Progenesis QI documentation: https://github.com/CCMS-UCSD/GNPSDocumentation/pull/101 If anyone is experienced with that, it would be great to add it.

[MetaMiner] Adding the workflow to GNPS and the documentation

1

I am posting an issue to keep track of this. People in the lab wants to use it, but the current workflow (RIPPQuest) is outdated https://gnps.ucsd.edu/ProteoSAFe/index.jsp?params=%7B%22workflow%22:%22RIPPQUEST%22%7D See https://github.com/CCMS-UCSD/GNPS_Workflows/issues/228

Updating Qemistree so it runs from SIRIUS workspace and generic input files

6

Hi @anupriyatripathi This is to initiate a discussion to resolve the current issue users are having running Qemistree. Context: - SIRIUS v.4.4 introduced new parameters, new tools (like CANOPUS/COSMIC), and...

Hi Ivan, We were having an Optimus training today, and here few comments/idea that came up with the group: - It would very convenient to have the BLANK field in...

Request features: flagging (or solving?) saturated features

4

Hi, Saturation of the detector in mass spectrometry is quite common in metabolomic. Obviously, these saturated MS1 or MS2 features cannot be compared properly between samples. Decreasing the sample concentration...

install.packages(c("shiny", "DT", "markdown", "plyr"))

protViz 0.7 requires R >= 4.1 So one needs to install protViz 0.6.8 on R.4.0.5 https://cran.r-project.org/web/packages/protViz/index.html