1Department of Chemistry and Biochemistry, University of California,
San Diego, La Jolla, CA 92093, USA
2San Diego Supercomputer Center, University of California, San Diego,
La Jolla, CA 92093, USA
3Scripps Institution of Oceanography, University of California, San
Diego, La Jolla, CA 92093, USA
Received: 04 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 SPMSs are in use worldwide. However, supporting analysis toolkits for these powerful instruments are outdated, have limited functionality, or are versions that are not available to the scientific community at large.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 data sets 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 graphic user interfaces (GUIs) which can aid both novice and expert users in calibration of raw data; exploration of the dependence of mass spectral characteristics on size, time, and peak intensity; and investigations of clustered data sets.
Revised: 14 Feb 2017 – Accepted: 14 Mar 2017 – Published: 04 Apr 2017
Sultana, C. M., Cornwell, G. C., Rodriguez, P., and Prather, K. A.: FATES: a flexible analysis toolkit for the exploration of single-particle mass spectrometer data, Atmos. Meas. Tech., 10, 1323-1334, doi:10.5194/amt-10-1323-2017, 2017.