Disclaimer: Former versions were saving the GNPS username and password unencrypted to project and batch files that used the direct submission of FBMN data to GNPS. This version solves this problem.
See batch files as a standard workflow for ion identity networking:
Filtering: Only filter duplicate rows for smaller studies
Use correlation grouping only if MS1 data is sufficient (at least 5 data points on a chromatographic peak). Otherwise group by retention time window and feature height correlation (only for constant ionization behavior over all samples).
Refer to videos on my youtube channel:
https://www.youtube.com/playlist?list=PL4L2Xw5k8ITyxSyBdrcv70LDKsP8QNuyN
Special version of MZmine 2.37 with many additions.
Important:
metaCorr and ion identity networking 17.7
and MS/MS merging by Kai.
Fix:
- Password encryption
- Renumbering fixed in SIRIUS export
Change:
- Export ion identity relationships as additional edges for feature-based molecular networking
- Isotope pattern detection improved for SIRIUS export (Kai)
- Better visualization