Joe Wandy
It appears that an initial MS1 scan of exactly 1 peak is always inserted at the start of a simulated run. I can't remember why we do this, but maybe...
After code-refactoring, the following features are no longer supported in the simulated mass spec. They should be re-implemented at some point: - Being able to define multiple isolation windows for...
Noise peaks will never be fragmented as we loop after chemicals when generating scans, and there are no chemicals associated with noise peaks. See https://github.com/glasgowcompbio/vimms/blob/master/vimms/MassSpec.py#L623-L630. Not sure if this is...
This happens even after the notebook has finished running, and we try to open the mzML file.  Temporary solution is to restart the kernel, but it would be better...
They're actually used for Top-N dynamic exclusion window, so should be removed from scan_params (when making ms2 scans) https://github.com/sdrogers/vimms/blob/master/vimms/Controller/base.py#L72
Hi Hossein, Thank you for the great work on Velodrome. When I tried to run the TestVelodrome.py script, I obtained the following error: ``` Traceback (most recent call last): File...
PR to add demo using vimms to generate synthetic data so we can test the performance of a typical untargeted data processing pipeline in LC/MS metabolomics. So we generate chemicals...