Releases: odisce/Spec2Annot
Releases · odisce/Spec2Annot
v1.0.0
v0.2.0-alpha
Initial release with:
- table with elements, losses, adducts, charges and isotopes
- functions to parse formula, ion notations, html and latex notations
- C++ function to search the elemental composition from a mass (using a restricted set of elements or not)
- Full unit test
- Companion functions to calculates masses, ions, deviations
To do:
- Add functions for untargeted search
- Add functions to annotate fragmentation spectra
- Vignettes