FATES: A Flexible Analysis Toolkit for the Exploration of Single Particle Mass Spectrometer Data
Camille M. Sultana1, Gavin Cornwell1, Paul Rodriguez2, and Kimberly A. Prather1,31Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, 92093, USA 2San Diego Supercomputer Center, University of California, San Diego, La Jolla, 92093, USA 3Scripps Institution of Oceanography, University of California, San Diego, La Jolla, 92093, USA
Received: 04 Sep 2016 – Accepted for review: 26 Sep 2016 – Discussion started: 06 Oct 2016
Abstract. Single particle mass spectrometer (SPMS) analysis of aerosols has become increasingly popular since its invention in the 1990s. Today many iterations of commercial and lab-built SPMS are in use worldwide. However supporting analysis toolkits for these powerful instruments are either outdated, have limited functionality, or are versions that are not available to the scientific community at large. In an effort to advance this field and allow better communication and collaboration between scientists we have developed FATES (Flexible Analysis Toolkit for the Exploration of SPMS data), a MATLAB toolkit easily extensible to an array of SPMS designs and data formats. FATES was developed to minimize the computational demands of working with large datasets while still allowing easy maintenance, modification, and utilization by novice programmers. FATES permits scientists to explore, without constraint, complex SPMS data with simple scripts in a language popular for scientific numerical analysis. In addition FATES contains an array of data visualization GUIs which can aid both novice and expert users in calibration of raw data, exploration of the dependence of mass spectra characteristics on size, time, and peak intensity, as well investigations of clustered data sets.
Sultana, C. M., Cornwell, G., Rodriguez, P., and Prather, K. A.: FATES: A Flexible Analysis Toolkit for the Exploration of Single Particle Mass Spectrometer Data, Atmos. Meas. Tech. Discuss., doi:10.5194/amt-2016-288, in review, 2016.