Change Log of GNPS Documentation
All new updates will be posted on the GNPS Github Page (https://github.com/CCMS-UCSD/GNPS_Workflows/releases)!
- Major documentation update for the Feature-Based Molecular Networking (FBMN).
- FBMN supports the mzTab-M format, and Progenesis QI.
- FBMN provide now supports LC-MS/MS data acquired in MSE mode (MS-DIAL and Progenesis QI) or with Ion Mobility Spectrometry (MS-DIAL, Progenesis QI, and MetaboScape).
- New documentation for Feature-Based Molecular Networking (FBMN).
- New tools available with the FBMN OpenMS, MS-DIAL, XCMS, and MetaboScape.
- Adding qiime2 qza and emperor output for Feature Based Molecular Networking
- Adding GraphML output for MS2LDA
- GNPS Quickstart will do only the fly conversion of Thermo raw files.
- Adding credentials option for GNPS quickstart for classic molecular Networking
- Adding link to clone deprecated molecular networking to latest version of molecular networking
- Adding direct re-analysis link for MS2LDA from molecular networking
- Bug fixes for MS2LDA
- Adding batch spectra additional validator
- GNPS quickstart support within MZMine2 updated
- Added UniqueFileCount to GraphML in Classic Molecular Networking
- Added GNPS Cluster Linkouts and GNPS Network Visualizer linkouts to GraphML in Classic Molecular Networking
- Feature based molecular networking is supported in the superquick start page
- Feature based molecular networking now supports MZMine2, OpenMS, Optimus, MS-DIAL, Metaboscape, and XCMS3 feature finding tools
- Adding UniqueFileSource attribute to GNPS Molecular Networking V2 Workflow (METABOLOMICS-SNETS-V2)
- Mirror plots include mz labels
- MASST supports dataset metadata display
- New Documentation and Splash Page are available
- Bug Fixes for Library Search to provide 10X increase in throughput for large datasets
- MASST is available to report MS/MS spectrum occurrences at a single file level with metadata reported if available
- Updating documentation
- New documentation website.
- Beta version of Molecular Networking provides stream lined results and cytoscape compliant output.