rformassspectrometry / MetaboCoreUtils

Core utilities for metabolomics.
https://rformassspectrometry.github.io/MetaboCoreUtils/index.html
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Function for conversion of migration time to effective mobility in CE-MS #41

Closed michaelwitting closed 2 years ago

michaelwitting commented 3 years ago

@LiesaSalzer and I are working on CE-MS based metabolomics. One part here is the conversion of the migration time (same as retention time in LC-MS) to effective mobility based on a known set of mobility markers is used to overcome differences in migration time between different runs. One example is found here:

https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/elps.201700427

We should implement a function that takes a vector of migration times (for sake on consistency I would call it also rtime) and a data.frame with the data of the markers and perform conversion.