Hoffmann, Nils; Keck, Matthias; Neuweger, Heiko; Wilhelm, Mathias; Högy, Petra; Niehaus, Karsten; Stoye, Jens: Combining peak- and chromatogram-based retention time alignment algorithms for multiple chromatography-mass spectrometry datasets. In: BMC Bioinformatics. Jg.13 H. 1. 2012
Inhalt
- Background
- Methods
- BIPACE - multiple alignment by Bidirectional best hits peak assignment and cluster extension
- Assignment of peak pairs
- Bidirectional best hits merging
- Time and space complexity of BIPACE
- Multiple alignment projection
- CeMAPP-DTW - Center-Star Multiple alignment by Pairwise Partitioned Dynamic Time Warping
- Postprocessing - obtaining bijective maps
- An efficient datastructure for pairwise DTW alignment with anchors
- Efficient storage of partitioned array
- Layout calculation
- Multiple alignment of chromatograms
- Results
- Evaluation of BIPACE and CeMAPP-DTW on a reference dataset
- Evaluation of BIPACE and CeMAPP-DTW on a real world dataset
- Discussion
- Conclusions
- Additional files
- Competing interests
- Authors' contributions
- Acknowledgements
- Author details
- References