search

Tarskin / MassyTools

A data processing tool for targeted high-throughput MALDI-MS data extraction.
Apache License 2.0
3 stars 4 forks source link

Allow m/z calibration to use compositions as well #18

Closed Tarskin closed 6 years ago

Tarskin commented 6 years ago

Calibration should be possible using compositions as well, as opposed to the exact mass. Suggested idea is to make MassyTools try and calculate the m/z of the main isotopic peak if exact mass is not supplied, see below example calibration list.

SpikedCalibrant 1000.0001 H4N4F1

Tarskin commented 6 years ago

This feature request has been implemented in b180703a.