ElucidataInc/ElMaven: v0.7.0

Features

• MS/MS workflow with fragmentation matching (#974 )
• Save user settings in project format (.emDB) for a complete session restore experience (#969 )
• Peak classification (good/bad) on PollyPhi through Polly^TM integration
• Metabolite quantification using QuantiFit in Polly^TM integration for GUI and CLI (#984 )
• Project files from MAVEN (.mzrollDB) can be imported

Enhancements

• Read more fields from spectral library files (.msp) (#965 )
• Preserve multiple fragmentation records per compound from MSP files (#965 )
• Save 'peakSplineArea' and 'sample color' in project format (.emDB)
• Obi-warp alignment will work for MS/MS data where MS1 information is available

UI/UX

• Warning if sample polarity and spectral library (.msp) polarity do not match (#965 )
• Save last opened folder for database files (#965 )
• Add 'note' column in compound widget (#558 )
• Switch on isotope detection with C13 by default
• Deprecated tag for NA correction and mzroll format (#586 )
• Sample colors can only be changed manually once assigned during import (#634)

Bug Fixes

• Fixed missing sample intensities in CSV exported from emDB session (#976 )
• Manually integrated peaks had zero 'peakSplineArea' in Peak Detailed Format CSV
• Last compound was not read from spectral library files (.msp) (#965 )
• Low quality groups reported in automated detection (#970 )
• Values for 'abundance' and 'expected RtDiff' were switched in .emDB project (#962 )
• .emDB projects were not autosaved on Windows (#1007 )
• Fix crash on changing mass resolution with isotope widget open (#918 )
• Fix crash on deleting all samples

Others

• Project format (.emDB) versioning and backward-compatibility changes
• Updated build script for Mac OS (#1002)
• Added a code style guide for the project (#840)
• Improved crash-reports to ease the debugging process (#961 )
• Improve stability of crashreporter (#961 )
• Remove version from binary name
• Updated installation instructions in README for all platforms (#1002 )
• Refactor code for Polly-El-MAVEN integration
• Add triggers for Google Analytics