Releases · RECETOX/recetox-xMSannotator

What's Changed

Implemented RT clustering by @hechth in #17
Implemented CI action to check R package by @hechth in #25
21 rt cleanup by @hechth in #31
Test simple annotation by @xtrojak in #26
Added documentation from Wiki to "docs" folder by @hechth in #40
add basic functionality to fetch test data by @martenson in #39
Update possible_issues.md by @xtrojak in #46
Update developer_documentation.md by @hechth in #53
Added missing comments and allowed using plots for main function in rt clustering by @hechth in #54
Implement isotope matching by @maximskorik in #20
main: Add issue of parallel execution to the docs by @maximskorik in #68
october: Add adapter to bind functionality of main and master branches by @maximskorik in #73
reintroduce updated dockerfile by @martenson in #66
Fixed bug which caused various formats of 1d vectors to fail by @hechth in #77
Added 'name' column to compound table and removed optional columns by @hechth in #78
october: Adapter bugfix by @maximskorik in #75
main: Change peak table reader to not rely on 'intensity' prefix for intensity columns by @maximskorik in #79
merge main into october by @martenson in #80
Update possible_issues.md by @hechth in #81
Added individual steps and test case for score computation with whole isotope table by @hechth in #82
hotfix for data loading by @hechth in #88
Implemented advanced test for integration utils by @hechth in #89
Merge october into main by @hechth in #98
Fix tests after october branch merge by @xtrojak in #100
Disable code coverage for c++ code by @xtrojak in #104
Change package structure by @xtrojak in #102
Update environment-dev.yaml by @hechth in #107