gscorreia89

The batch correction will fail when there is a set of samples in a batch without SR (i.e dummy conditioning samples). Instead, it should output a warning and apply only...

Summary Table of QC in NMR feature summary

1

When repeating the 'feature summary' report following sample exclusions with updateMasks or manually in an NMRDataset the second time the final summary table contains wrong information.

Add parsers for Skyline's data format in the LC-QqQ targeted datasets.

Add functionality to facilitate exporting large datasets to Metabolights DB.

It would be good to have interactive plots showing the intensity of an individual feature accross run order, similar to the static plots in the batch correction assessment.

At the moment the json SOP files for MS targeted assays are awkward to edit by most users. It would be better to implement the possibility of reading these also...

Implementing an Include (Sample/Feature) method for Dataset objects which would erase the Excluded Details information, and allow re-inclusion directly based on name or other metadata (same syntax as excludeSample/Featurew)

Import of NMR data from compressed archives

1

The NMR data format produces a lot of small files which are very inconvenient for storage and data transfer. It would be good to add functionality to import a dataset...

There is a lot of LC-QqQ quality control functionality which is not represented in the tutorials. We also have no example dataset, so it would be good to: 1. Acquire...