new:
- Search in spectrum with intact ions
- Autocalibration for intact ion search and top-down search (including dialog for user interface)
- Configuration parameters adapted
- Intact ions can be radicalic
- Calculation of isotope distributions can be accelerated for large molecules
- Abundance and intensity input mode for intact ion assignment
- intensity mode for analysis (better suited for TOF mass analysers)
- SNR threshold
- Program can be started by double-clicking in Mac OS
- Current m/z and intensity are shown in spectrumView as a label
- Scores of ions are independent of user inputs (noiselimit) (noiseLevel calculated by SpectrumHandler)
fixed bugs:
- Model Ion Tool: No. of Hs was incorrectly calculated for radical species
- IsotopePatternLogics: getFragment if fragmentTemplate = ''
- in IsoPatternPeakWidget: getDataframe
- in intact ion
- copying ion table in ModelIonTool did not work
- copy tables in CalibrationView did not work
- analysis of intact ions (average modification, modifications) were incorrect (abundances and intensities mixed up)