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Metabolomics-MPC / NTAnnotationWorkflow

An R script for the annotation of small-molecule LC-MS data
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Read MS1 data to SummarizedExperiment #1

Closed michaelwitting closed 2 years ago

michaelwitting commented 2 years ago

Write function to read input table into SummarizedExperiment

chufz commented 2 years ago

Ok, i'll try to implement in what we have now

michaelwitting commented 2 years ago

Should be https://github.com/RforMassSpectrometry/QFeatures (Link: QFeatures).

michaelwitting commented 2 years ago

We should also think about encoding the experimental design in the QFeatures. Can we have positive and negative mode data in the same object? That would make life easier.

chufz commented 2 years ago

I think the assay matrices in the middle need to have same dimensions, therefore unfortunately not

michaelwitting commented 2 years ago

Same dimensions or only same amount of samples?

chufz commented 2 years ago

same dimensions, which also means same number of features

chufz commented 2 years ago

Should be implemented now