mjhelf/Metaboseek: Metaboseek version 0.9.6

New features:

Metaboseek keeps track of most analysis steps now, and the processing history can be viewed in the app.
New file format (.mskFT) allows to save and load Feature Tables with processing history and other settings.
New file format (.mskg) allows to save and load molecular networking results with processing history and other settings.
Molecular features from a Feature Table can now be mapped onto an existing molecular network (even when generated from other data), matching features with similar rt, mz and / or MS2 fragmentation patterns.
Metaboseek sessions can now be saved into a single file (.msks) and loaded back in. See documentation for details
Added functionality to search for MS2 fragment patterns across all loaded files
In MS2 networking, added option to ignore small fragment ions (below 100 mz, often dominant phosphate peaks) for testing purposes

Improvements:

Added option to calculate peak areas (instead of mean intensities) for Mseek intensities while running xcms script
Network appearance (node positions) is now persistent when zooming back out into overview mode
xcms script was rewritten to allow tracking of processing steps
xcms settings are now saved in the settings subfolder of a project folder to keep them separate from analysis results
File names in selection menus now wrap so they can be read in full even when very long

Bug fixes

Sirius results can now be loaded if no fingerID results present
Fixed calculation of peak areas when using the integrated intensity calculation with option "Peak areas"
Fixed colorrange issue with NA values in Network plots

Notes:

Get the newest version here
If zooming in or out with double click does not work in spectrum or EIC plots, try CTRL + click. To zoom out of subnetwork views, Z + click is an alternative to double click in the network plot.