v0.2.1

There are cases that a precursor-derived metabolite could be the modification of the dimer, trimer or even polymer of this precursor.

For instance, a metabolite could be [2M+H]⁺, where M is the precursor. if the mass difference of between labeled and unlabeld precursor is 10 (suppose 10 ¹³C). Then the mass difference between the labeled and unlabeled metabolite will be 20 (2 * 10).

The poly parameter in the diso() function is therefore used to fish out such metabolites. poly = 2 means look for dimer precursor-derived metabolites; poly = 3 for trimer derived metabolites, and so on.

v0.2.0

1. Take xcms set as input
2. More user friendly and fully automated
3. Can be directly applied for single, dual or multiple labelling experiments.

v0.1.5

efficient removal of natural isotopes and false positives using Rresult() function

v0.1.4

• Allow quantitative assessment
• Add interactive plot

v0.1.3

Merge remote-tracking branch 'origin/master'