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Atmospheric Measurement Techniques An interactive open-access journal of the European Geosciences Union

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doi:10.5194/amt-2016-288
© Author(s) 2016. This work is distributed
under the Creative Commons Attribution 3.0 License.
Research article
06 Oct 2016
Review status
A revision of this discussion paper was accepted for the journal Atmospheric Measurement Techniques (AMT) and is expected to appear here in due course.
FATES: A Flexible Analysis Toolkit for the Exploration of Single Particle Mass Spectrometer Data
Camille M. Sultana1, Gavin Cornwell1, Paul Rodriguez2, and Kimberly A. Prather1,3 1Department 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
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 However supporting analysis toolkits for these powerful instruments are either outdated, have limited functionality, or are versions that are not available to the scientific community at large.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.

Citation: 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.
Camille M. Sultana et al.
Interactive discussionStatus: closed
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
Printer-friendly Version - Printer-friendly version      Supplement - Supplement
 
RC1: 'Referee comments', Anonymous Referee #1, 13 Nov 2016 Printer-friendly Version 
AC1: 'Reply to Referee1', C.M. Sultana, 16 Nov 2016 Printer-friendly Version 
 
RC2: 'Referee Comments', Anonymous Referee #2, 16 Dec 2016 Printer-friendly Version 
AC3: 'Reply to Referee 2', C.M. Sultana, 13 Feb 2017 Printer-friendly Version 
 
AC2: 'Reply to Referee 2', C.M. Sultana, 13 Feb 2017 Printer-friendly Version 
Camille M. Sultana et al.
Camille M. Sultana et al.

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Short summary
Single particle mass spectrometers (SPMS) can determine the size and chemical composition of single particles in real time. We developed the first open source SPMS toolkit to allow creative script-based data mining along with GUI based visual data exploration and calibration all within a single programming environment. We believe that this software will be adopted by many in the SPMS community and improve the efficiency of knowledge discovery from these atmospherically critical datasets.
Single particle mass spectrometers (SPMS) can determine the size and chemical composition of...
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