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YAADA: Software Toolkit to Analyze Single-Particle Mass Spectral Data, versions 1.3 amd 2.0

By Jonathan O. Allen


Copyright ©2001 Arizona Board of Regentsi Researchers are now able to measure the size and composition of single aerosol particles using instruments like the Aerosol Time-of-Flight Mass Spectrometry (ATOFMS) instruments developed by Prof. Kimberly Prather and her research group at the University of California. Complete mass spectra are collected on individual particles at a rate of approximately one per second. Thus very large data sets can be collected during a multi-day, multi-instrument experiment. These data sets are too large for ad hoc data analysis techniques. YAADA is a package of data management and analysis functions written for Matlab which are designed to process these large data sets. YAADA is available as free software. Users can write Matlab functions to extend YAADA in order to develop novel analyses of ATOFMS data. YAADA includes functions to import, query, plot, and quantitatively analyze ATOFMS data. The import module rapidly converts data from the common ATOFMS data acquisition software and performs quality control checks on the data. ATOFMS data in YAADA are organized in a hierarchical objectoriented database with objects to uniquely identify each instrument, particle, spectrum, and spectral peak. The search module implements a query language to find sets of particles based on their size and composition. For example, to find particles with aerodynamic diameter (Da) between 1.0 and 1.8 microns which also have mass spectral peaks near m/z = 23, one would use the query "Da = [1.0 1.8] AND PeakMZ = [22.5 23.5]". The plotting programs include differential concentration versus differential Da and digital mass spectral plots. The quantification module includes functions to scale up ATOFMS data for missing times, instrument busy time, and particle detection efficiency. i

Year: 2005
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