Removed min_mz and max_mz from AIF and fixed bug in MS that was loo…

glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python

MIT License

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Closed sdrogers closed 4 years ago

sdrogers commented 4 years ago

…king at the collision energy rather than the source_ms1_cid_energy

Removed min_mz and max_mz from the AIF controller
These should now be set through the default_ms1_scan_window of AdvancedParams
Fixed a bug that emerged in the simulated MS class because of our change from collision energy to ms1_source_cid_energy

@joewandy this will definitely break your notebooks from running on the machine. Please see tests to see how to set the min and max mz.

Fixes #138

sdrogers commented 4 years ago

Added a new test that also Fixes #141

joewandy commented 4 years ago

We probably won't need to run those notebooks again, so it's fine.

sdrogers commented 4 years ago

Please do fix the notebooks - it’s a tiny change and otherwise there’s a good chance we’ll run them again having forgotten the fix...