Extract and Analyze EchoMS Data from Sciex Wiff Files
Get the total area for given masses for all wells
Extract mass spectra for all wells
Extract the peak areas for MRM mass transitions for all wells
Extract all total ion chromatograms from a Wiff file
Get the total area for given masses for a particular well
Extract raw Wiff full scan data
Extract a full mass spectrum for a given well
Extract the peak areas for MRM mass transitions for a given well
Extract full chromatograms for each mass transition
Extract a total ion chromatogram (TIC) from a Wiff file
List of Shot Names in a given Wiff File
Measure total ion chromatogram peaks to estimate ejection time
Open a Sciex EchoMS wiff File for Reading
Fully process a Full Scan Wiff and scan File
Process an MRM file in total
Read raw and processed data from acoustic ejection mass spectrometry (AEMS) files produced by the Sciex EchoMS instrument. Includes functions to create interactive reader objects, extract raw intensity measurements, mass spectra, and fully-processed mass-transition intensity areas. Methods for data processing and analysis are described in Rimmer et al. (2025) <doi:10.1021/acs.analchem.5c03730>. Supports both multiple reaction monitoring (MRM) and full-scan (neutral loss and precursor ion) data formats.