The jp²rt package allows to estimate retention times related to untargeted metabolomics by LC-MS/MS analysis for hundreds of thousands of molecules given an even small sample of known experimental retention times.
88 karma · joined February 1, 2016
Should be fixed now https://github.com/mapio/programming-with-escher/commit/1f04...
Give a look at my today's lecture results https://santini.di.unimi.it/tmp/labprog/laboratorio_01/resul...
Using this software the teacher can have a valuable feedback on what exercises the students find easy, or difficult and, on the other hand, students become very competitive and get more productive than usual!
[The exercises texts, unfortunately in Italian only, are available here https://github.com/mapio/labprog-infomus]
If you have a specific issue, can I please ask you to report it on GitHub Issues?
Thanks!