Reactomics analysis for MS-only data

Recently, I received multiple requests of reactomics analysis for MS only data such as FT-ICR MS or MS imaging data. In this case, it’s better to summary the answer with an example as reference. Here you are!

When retention time is not provided, m/z vector can still be used to check reaction level changes. To apply this analysis, you need to install the devel version(>=0.2.6) of PMD package:

remotes::install_github('yufree/pmd')

## Using github PAT from envvar GITHUB_PAT. Use gitcreds::gitcreds_set() and unset GITHUB_PAT in …