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Process that Occurs During Peak Detection, Centroiding, and Integration
Data Explorer
™
Software User’s Guide 3-69
3
After peak
detection
After peaks are detected:
• Centroid mass is calculated for spectral data, then
modified by Gaussian peak fitting, if it is selected.
• Chromatographic and spectral peaks are integrated.
• Peak lists are generated for chromatograms and spectra.
Centroiding The Data Explorer software calculates the peak centroid for
spectral data by:
• Drawing a projected centroid baseline at the
percentage of the peak height specified by the
Centroiding% entered. Centroiding is measured
between the top of the peak and 0. For example, a
centroiding% of 10 uses the top ten percent of the peak,
where peak height is determined from 0.
• Searching to the left and right of the apex for data
points that bound the projected centroid baseline, then
interpolating the centroid baseline.
• Calculating the intensity-weighted area of the peak
from the left to the right intersection of the centroid
baseline, then dividing by the area of the same
region.