Open elliotfontaine opened 3 months ago
See discussion in https://github.com/workflow4metabolomics/lcmsmatching/issues/68.
Replacing the mzmatch
junk script used by our workflow by the lcmsmatching
R script won't be straightforward. The latter doesn't work with current versions of its core dependency biodb
.
One approach would be to partially reimplement lcmsmatching
using biodb
1.10.0, and following what's inside vignettes:
https://github.com/workflow4metabolomics/lcmsmatching
Steps:
lcmsmatching
with our data and discover its interface.