Optimized Automatic Noise Level Calculations for Broadband FT-ICR Mass Spectra of Petroleum Give More Reliable and Faster Peak Picking Results

초록

A new algorithm for determining noise level is proposed for more reliability In interpreting spectral data for complex Fourier transform ion cyclotron resonance (FTICR) mass spectra of petroleum. In the new algorithm, a moving window witha fixed number of data points was adopted, Instead of a fixed m/z width In the analysis of petroleum, It found that a moving window of 50,000 or more data points was optimal This optimize automated peak picking performed well even with frequency-dependant noise in the mass spectrum. Additionally, this Fast, automated peak picking algorithm was suitable for the analysis of a large set of samples

키워드