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ElucidataInc / ElMaven

LC-MS data processing tool for large-scale metabolomics experiments.
https://resources.elucidata.io/elmaven/
GNU General Public License v2.0
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[Fix] Incorrect m/z calculation for EI type #1341

Closed saifulbkhan closed 3 years ago

saifulbkhan commented 3 years ago

The calculation of m/z differs only for EI ionization type. This was not taken into account when calculating the m/z value from parent adduct ions (which should still obey the EI/non-EI rules).

Additinally, the logic for setting ionization type in the MavenParameters class was constantly assigning ESI even when unintended.