metAlignID: a high-throughput software tool set for automated detection of trace level contaminants in comprehensive LECO two-dimensional gas chromatography time-of-flight mass spectrometry data.

@article{Lommen2012metAlignIDAH,
  title={metAlignID: a high-throughput software tool set for automated detection of trace level contaminants in comprehensive LECO two-dimensional gas chromatography time-of-flight mass spectrometry data.},
  author={Arjen Lommen and Henk J. van der Kamp and Harrie J. Kools and Martijn K. van der Lee and Guido van der Weg and Hans G.J. Mol},
  journal={Journal of chromatography. A},
  year={2012},
  volume={1263},
  pages={
          169-78
        }
}
A new alternative data processing tool set, metAlignID, is developed for automated pre-processing and library-based identification and concentration estimation of target compounds after analysis by comprehensive two-dimensional gas chromatography with mass spectrometric detection. The tool set has been developed for and tested on LECO data. The software is developed to run multi-threaded (one thread per processor core) on a standard PC (personal computer) under different operating systems and… CONTINUE READING