tidygraph v1.3.0.The default ppm threshold has been reduced to 4.
The importance of the ^37^Cl adduct has been increased in the default negative mode adducts.
The ^13^C2 isotope has been removed from the default isotopes.
The default retention time difference limit for relationships has been changed to 2 seconds for RP-LC-HRMS and NP-LC-HRMS.
The absolute values of correlation coefficients are now used to calculate average component weights.
Where components contain a feature represented by more than one adduct and isotope combination, only the node with the highest AIS is now retained.
Added a NEWS.md file to track changes to the package.
The Assignment S4 class now inherits from the AssignmentParameters S4 class.
The molecular formula generation is now handled by mzAnnotation::ipMF().
Improved molecular formula selection routine based on the Seven Golden Rules from Kind et al. 2007.
The adduct and isotope assignment routine now conducted over multiple iterations.
Graphical components are now selected using an improved plausibility score.
Graphical components are now only retained if they contain at least one non-isotopic assignment.
The individual assignment step methods (calcCorrelations(), calcRelationships(), addIsoAssign(), transformAssign()) are now exported.
Added the availableTechniques() function to return the supported analytical techniques.
Numerous documentation improvements.
Added a usage introduction vignette.
The package documentation is now available at https://aberhrml.github.io/assignments/