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Amphitrite: A program for processing travelling wave ion mobility mass spectrometry data.

Ganesh N Sivalingam1, Jun Yan1, Harpal Sahota2

  • 1Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London, UK.

International Journal of Mass Spectrometry
|April 7, 2015
PubMed
Summary
This summary is machine-generated.

A new software package simplifies processing of travelling wave (T-Wave) ion mobility data. This tool enhances structural biology research by automating data analysis and collision cross section (CCS) calibration.

Keywords:
Data processingIon mobility mass spectrometrySoftwareTravelling wave ion mobility

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Area of Science:

  • Structural Biology
  • Analytical Chemistry
  • Biophysics

Background:

  • Travelling wave (T-Wave) ion mobility spectrometry has become a valuable tool in structural biology since its introduction in 2007.
  • Limited software development has hindered the full exploitation of T-Wave ion mobility data.

Purpose of the Study:

  • To present a novel software package for processing T-Wave ion mobility data.
  • To improve the efficiency and depth of data analysis in structural biology studies using T-Wave ion mobility.

Main Methods:

  • Development of a software package for T-Wave ion mobility data processing.
  • Implementation of algorithms for mass spectrum deconvolution and arrival time distribution (ATD) extraction.
  • Automated collision cross section (CCS) calibration and application functionality.

Main Results:

  • The software enables deconvolution of mass spectral components and extraction of corresponding ATDs with minimal user input.
  • Automated CCS calibration is achievable, simplifying data interpretation.
  • Demonstrated enhancement of information extraction from raw data using model proteins.

Conclusions:

  • The novel software package significantly advances the processing of T-Wave ion mobility data.
  • This tool facilitates more comprehensive structural biology investigations by improving data analysis efficiency and accuracy.
  • The software offers a user-friendly solution for automated data processing and CCS calibration.