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RECETOX / MFAssignR

The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools for internal mass recalibration, MF assignment, signal-to-noise evaluation, and unambiguous formula selections are provided.
GNU General Public License v3.0
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test for the MfassignCHO function #31

Closed KristinaGomoryova closed 9 months ago

KristinaGomoryova commented 9 months ago

parametrized test for the MFAssignR::MFAssignCHO function written

closes #11

codecov[bot] commented 9 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (9d6b21f) 16.29% compared to head (57c4d23) 46.98%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #31 +/- ## =========================================== + Coverage 16.29% 46.98% +30.69% =========================================== Files 10 10 Lines 4094 4093 -1 =========================================== + Hits 667 1923 +1256 + Misses 3427 2170 -1257 ```

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hechth commented 9 months ago

I updated the tests so that they use a smaller dataset and re-wrote the tests for both positive and negative mode using a single sample.