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RECETOX / RIAssigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
MIT License
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Introduced scaling factor in Kovats computation to handle skipped alkanes #76

Closed hechth closed 2 years ago

hechth commented 2 years ago

If a reference value is missing now, the RI is not assumed to increase in 100 steps but it is actually scaled to the increment between the steps, so actual piecewise linear interpolation.

Closes #75