Make RIAssigner compatible with alkane files from metabobank japan

RECETOX / RIAssigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.

MIT License

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Make RIAssigner compatible with alkane files from metabobank japan #103

Open hechth opened 9 months ago

hechth commented 9 months ago

          @kozo2 I just looked at the public repos and the `ALKANE_SERIES.txt` files are what you would use as reference :) they just need to be formatted a bit to work with RIAssigner (which is based on matchms) - I can create an issue for this so that the files can be used.

Originally posted by @hechth in https://github.com/RECETOX/RIAssigner/issues/101#issuecomment-1776798793