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EMSL-Computing / CoreMS

CoreMS is a comprehensive mass spectrometry software framework
BSD 2-Clause "Simplified" License
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option to export all candidate formulas -- issue #18 #19

Closed deweycw closed 3 months ago

deweycw commented 3 months ago

These changes allow for the option to export all candidate formulas for an m/z peak. This feature is helpful for gap-filling across large sample sets.

deweycw commented 3 months ago

This is not an issue. Setting output_score_method to "All Candidates" (default value) produces desired behavior.