Peak detection integration algorithm

Despite these advancements in chromatographic data processing, peak detection and integration algorithms were crude, the user interface was cumbersome, and there was very little flexibility in the types of reports that these systems could generate. 

Electronic integration zero 0.1 very good (depending on the algorithm for curve smoothing, peak detection, and baseline drift) suited... 

Figure 5.9. Diagrams illustrating the use of traditional integration and ApexTrack integration algorithm (Waters EmPower) based on second derivative peak detection. Note that traditional integration can typically handle complex chromatograms well after some manipulations. Diagram courtesy of Waters Corporation.

In some cases, peak detection software s delivered with the spectrometer hardware, designed to determine the monoisotopic masses, do not have the necessary flexibility. In our case, for example, the peak detection software had to be rewritten in order to be integrated into the automated high throughput identification pipeline. A genetic algorithm was proposed to optimise the thresholds needed for peak detection [53]. We have then shown the important correlation between peak detection thresholds and identification results. 

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