This class implements a peak width estimation algorithm best suited for high resolution MS data (FT-ICR-MS, Orbitrap). Peaks are detected and a spline is fitted to the raw data in a window around the peak. Then a search for to the half-maximum is performed on the spline to the left and right of the peak maximum. The Full Width at the Half Maximum is collected. Finally a linear regression is performed to determine FWHM(m/z)
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This class implements a peak width estimation algorithm best suited for high resolution MS data (FT-ICR-MS, Orbitrap). Peaks are detected and a spline is fitted to the raw data in a window around the peak. Then a search for to the half-maximum is performed on the spline to the left and right of the peak maximum. The Full Width at the Half Maximum is collected. Finally a linear regression is performed to determine FWHM(m/z)
- Note
- The peaks must be sorted according to ascending m/z!
- Experimental classes:
- This algorithm has not been tested thoroughly yet.