PIXiE

PIXiE (Ion Mobility Cross Section Extractor) is an algorithm designed to automatically extract arrival times and collisional cross sections (CCS) values from molecules measured by Drift tube ion mobility spectrometry coupled with mass spectrometry (DTIMS-MS), allowing for the creation of a reference library for use in high throughput omics analyses. This novel informatics approach is critical for successfully implementing DTIMS-MS in high-throughput workflows.

Topic

Mass spectrometry;Genomics;Metabolomics

Detail

  • Operation: Spectral analysis

  • Software interface: Command-line user interface

  • Language: C#

  • License: -

  • Cost: Free

  • Version name: -

  • Credit: The Laboratory Directed Research and Development (LDRD) program at the Pacific Northwest National Laboratory (PNNL), the National Institute of Environmental Health Sciences of the National Institutes of Health (NIH), the Department of Energy Office of Biological and Environmental Research Genomic Science Program under the PNNL Pan-omics Program.

  • Input: -

  • Output: -

  • Contact: erin.baker@pnnl.gov, thomas.metz@pnnl.gov

  • Collection: -

  • Maturity: -

Publications

  • PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association.
  • Ma J, et al. PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association. PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association. 2017; 33:2715-2722. doi: 10.1093/bioinformatics/btx305
  • https://doi.org/10.1093/bioinformatics/btx305
  • PMID: 28505286
  • PMC: PMC5860068

Download and documentation

< Back to DB search