Datapoints per 1 m/z - Githubissues

Tarskin / LaCyTools

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

Apache License 2.0

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Closed GSMKammeijer closed 2 years ago

GSMKammeijer commented 3 years ago

Describe the bug When a file is used that has analytes varying from 10+ up to 25+ it will be hard to have the correct setting for the datapoints:

If not enough datapoints are selected (less than in the original dataset), we observe peaksplitting.
In the case of too many datapoints we observe zeros

As the number of datapoints differ between low m/z and high m/z values it is hard to define a setting that applies for both regions.

Tarskin commented 2 years ago

This issue should be resolved with the dynamic_summing branch, can you confirm?

GSMKammeijer commented 2 years ago

Confirmed :)