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lifs-tools / rmzTab-m

The R-language bindings for mzTab-M
https://lifs-tools.github.io/rmzTab-m/
MIT License
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SMILES containing # quits parsing the remaining line #21

Closed sneumann closed 2 years ago

sneumann commented 2 years ago

Hi, reading an mzTab in https://github.com/lifs-tools/rmzTab-m/blob/d9cfc1efe8f16e09cf85359161d34fa39e65a4c6/R/MzTabReader.r#L10 fails if a SMILES contains an # (as,e.g., in C#N, hydrogen cyanide, HCN) is interpreted as comment and skips the remaining line. PR coming up. Yours, Steffen