Mislabeled output "Monoisotopic mass"

Tarskin / LaCyTools

A high-throughput data extraction package for LC-MS data.

Apache License 2.0

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Mislabeled output "Monoisotopic mass" #43

Closed DhunShafir closed 2 years ago

DhunShafir commented 3 years ago

Describe the bug For m/z values given in the Summary file: Header reads "monoisotopic mass". The value reported, however, is the exact mass of the most abundant isotopologue.

To Reproduce For all output files produced.

Expected behavior Change header name to a true representation of the output. Suggestion: "Exact mass of most abundant isotopologue"

Tarskin commented 2 years ago

This change has been addressed in an upcoming branch, will close once merged to main.