MSRESOLVESG. A program for converting mass spectrometry signals to concentrations. Baseline corrections, smoothing, solving overlapping patterns, mass spectrometer tuning, and more.
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populateIonizationEfficiencies use of ionization types #175
Some molecules in _ProvidedIonizationData.csv now have more than one type delimited by a semicolon.
getIE_Data uses split(';') to get a list of ionization types.
In populateIonizationEfficiencies if a molecule is two types, its ionization data is used during the linear fitting of data. (e.g. Ethanol's data is used if the user's molecule is an alcohol or a hydrogen non-metal-ide)
Test_3's polynomial coefficients were updated accordingly
Some molecules in _ProvidedIonizationData.csv now have more than one type delimited by a semicolon. getIE_Data uses split(';') to get a list of ionization types. In populateIonizationEfficiencies if a molecule is two types, its ionization data is used during the linear fitting of data. (e.g. Ethanol's data is used if the user's molecule is an alcohol or a hydrogen non-metal-ide)
Test_3's polynomial coefficients were updated accordingly