PIXiE is an open source, C# software toolkit that automates extraction of arrival times and calculation of Collision Cross Sections (CCS) for molecules measured across multiple electric fields.

The primary application for PIXiE is in the construction of a reference library containing accurate mass and CCS data for metabolites and other small molecules.

PIXiE also includes a parallel batch processor (PIXIEBatchProcessor) which automates data analysis for an arbitrary amount of targets. The batch processor searches for multiple targets in a set of DT-IMS-MS data, aggregating the results in a single SQLite database consisting of relational tables such as chemical targets, data files, analyses, detected ions and peaks. This database can later be queried directly for quality control, post-processing or visualization purposes. Results after post processing can then be exported to an accurate mass and CCS library.

PIXiE.zip from GitHub

Written by Jian Ma and Chris Wilkins for the Department of Energy (PNNL, Richland, WA)
E-mail: proteomics@pnnl.gov
Website: https://panomics.pnl.gov/ or https://omics.pnl.gov

See the details in file PNNL OSS License file on GitHub.