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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.The text was updated successfully, but these errors were encountered: