RogerGinBer

[WIP] Add new Ion-mobility peak picking algorithm

9

This PR is an initiative to add support for ion-mobility (IM) mass spectrometry data processing to the `xcms` `spectra` branch. This is still a **work in progress** and any contribution...

MS-imaging support / MsBackendImzML

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Hi there! In our research group we are actively working with MS-imaging (MSI) data and I was wondering about how to properly name and add the spatial coordinates information to...

pickPeaks fails to centroid if no flanking zeroes are present

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Hi there! While working with raw LC-IM-MS data (related to https://github.com/sneumann/xcms/pull/647), I've noticed that `pickPeaks` does not correctly centroid the data if no flanking zero values are present. Concretely, it...