SoFi, an IGOR-based interface for the efficient use of the generalized multilinear engine (ME-2) for the source apportionment: ME-2 application to aerosol mass spectrometer data

Atmospheric Measurement Techniques

Volumn 6, Issue 12, 2013, Pages 3649-3661

  Canonaco, F ^a   Crippa, M ^a   Slowik, J G ^a   Baltensperger, U ^a   Prevot A S H ^a  

^a PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL; ATMOSPHERIC MODELING; BIOMASS BURNING; CHEMICAL MASS BALANCE; DATA SET; MASS SPECTROMETRY; NUMERICAL MODEL; OXYGENATION; SPECIATION (CHEMISTRY); TIME SERIES; UNCERTAINTY ANALYSIS;

SWITZERLAND; ZURICH [SWITZERLAND];

EID: 84891355012     PISSN: 18671381     EISSN: 18678548     Source Type: Journal    
DOI: 10.5194/amt-6-3649-2013     Document Type: Article

References (48)

1. Alfarra, M. R., Prévôt, A. S. H., Szidat, S., Sandradewi, J.,Weimer, S., Lanz, V. A., Schreiber, D., Mohr, M., and Baltensperger, U.: Identification of the mass spectral signature of organic aerosols from wood burning emissions, Environ. Sci. Technol., 41, 5770-5777, 2007. (Pubitemid 47292007)
2. Allan, J. D., Alfarra, M. R., Bower, K. N., Williams, P. I., Gallagher, M. W., Jimenez, J. L., McDonald, A. G., Nemitz, E., Canagaratna, M. R., Jayne, J. T., Coe, H., and Worsnop, D. R.: Quantitative sampling using an Aerodyne aerosol mass spectrometer: 2. Measurements of fine particulate chemical composition in two UK cities, J. Geophys. Res.-Atmos., 108, 4091, doi:10.1029/2002JD002359s, 2003a.
3. Allan, J. D., Jimenez, J. L., Williams, P. I., Alfarra, M. R., Bower, K. N., Jayne, J. T., Coe, H., and Worsnop, D. R.: Quantitative sampling using an Aerodyne aerosol mass spectrometer: 1. Techniques of data interpretation and error analysis, J. Geophys. Res.-Atmos., 108, 4090, doi:10.1029/2002JD002358s, 2003b.
4. Allan, J. D., Delia, A. E., Coe, H., Bower, K. N., Alfarra, M. R., Jimenez, J. L., Middlebrook, A. M., Drewnick, F., Onasch, T. B., Canagaratna, M. R., Jayne, J. T., and Worsnop, D. R.: A generalised method for the extraction of chemically resolved mass spectra from aerodyne aerosol mass spectrometer data, J. Aerosol Sci., 35, 909-922, 2004. (Pubitemid 38953786)
5. Allan, J. D.,Williams, P. I., Morgan,W. T., Martin, C. L., Flynn, M. J., Lee, J., Nemitz, E., Phillips, G. J., Gallagher, M.W., and Coe, H.: Contributions from transport, solid fuel burning and cooking to primary organic aerosols in two UK cities, Atmos. Chem. Phys., 10, 647-668, doi:10.5194/acp-10- 647-2010, 2010.
6. Amato, F. and Hopke, P. K.: Source apportionment of the ambient PM2.5 across St. Louis using constrained positive matrix factorization, Atmos. Environ., 46, 329-337, 2012.
7. Canagaratna, M. R., Jayne, J. T., Ghertner, D. A., Herndon, S., Shi, Q., Jimenez, J. L., Silva, P. J., Williams, P., Lanni, T., Drewnick, F., Demerjian, K. L., Kolb, C. E., and Worsnop, D. R.: Chase studies of particulate emissions from in-use New York City vehicles, Aerosol Sci. Technol., 38, 555-573, 2004. (Pubitemid 39045234)
8. Canagaratna, M. R., Jayne, J. T., Jimenez, J. L., Allan, J. D., Alfarra, M. R., Zhang, Q., Onasch, T. B., Drewnick, F., Coe, H., Middlebrook, A., Delia, A., Williams, L. R., Trimborn, A. M., Northway, M. J., DeCarlo, P. F., Kolb, C. E., Davidovits, P., and Worsnop, D. R.: Chemical and microphysical characterization of ambient aerosols with the Aerodyne aerosol mass spectrometer, Mass Spectrom. Rev., 26, 185-222, doi:10.1002/mas.20115s, 2007. (Pubitemid 46491711)
9. Canonaco, F., Crippa, M., Slowik, J., Baltensperger, U., and Prévôt, A. S. H.: Development of the pulling technique for AMS data based on the ME-2 solver using SoFi, in preparation, 2014.
10. Crippa, M., Canonaco, F., Slowik, J. G., El Haddad, I., De-Carlo, P. F., Mohr, C., Heringa, M. F., Chirico, R., Marchand, N., Temime-Roussel, B., Abidi, E., Poulain, L., Wiedensohler, A., Baltensperger, U., and Prévôt, A. S. H.: Primary and secondary organic aerosol origin by combined gas-particle phase source apportionment, Atmos. Chem. Phys., 13, 8411-8426, doi:10.5194/acp-13-8411-2013, 2013a.
11. Crippa, M., DeCarlo, P. F., Slowik, J. G., Mohr, C., Heringa, M. F., Chirico, R., Poulain, L., Freutel, F., Sciare, J., Cozic, J., Di Marco, C. F., Elsasser, M., Nicolas, J. B., Marchand, N., Abidi, E., Wiedensohler, A., Drewnick, F., Schneider, J., Borrmann, S., Nemitz, E., Zimmermann, R., Jaffrezo, J.-L., Prévôt, A. S. H., and Baltensperger, U.: Wintertime aerosol chemical composition and source apportionment of the organic fraction in the metropolitan area of Paris, Atmos. Chem. Phys., 13, 961-981, doi:10.5194/acp-13-961-2013, 2013b.
12. Crippa, M., Canonaco, F., Lanz, V. A., Äijälä, M., Allan, J. D., Carbone, S., Capes, G., Dall'Osto, M., Day, D. A., DeCarlo, P. F., Di Marco, C. F., Ehn, M., Eriksson, A., Freney, E., Hildebrandt Ruiz, L., Hillamo, R., Jimenez, J.-L., Junninen, H., Kiendler-Scharr, A., Kortelainen, A.-M., Kulmala, M., Mensah, A. A., Mohr, C., Nemitz, E., O'Dowd, C., Ovadnevaite, J., Pandis, S. N., Petäjä, T., Poulain, L., Saarikoski, S., Sellegri, K., Swietlicki, E., Tiitta, P.,Worsnop, D. R., Baltensperger, U., and Prévôt, A. S. H.: Organic aerosol components derived from 25 AMS datasets across Europe using a newly developed ME-2 based source apportionment strategy, Atmos. Chem. Phys. Discuss., 13, 23325-23371, doi:10.5194/acpd-13- 23325-2013, 2013c.
13. Empa: Technischer Bericht zum Nationalen Beobachtungsnetz für Luftfremdstoffe (NABEL) available at: http//www.empa.ch (last access: 30 October 2013), 2011.
14. Hallquist, M., Wenger, J. C., Baltensperger, U., Rudich, Y., Simpson, D., Claeys, M., Dommen, J., Donahue, N. M., George, C., Goldstein, A. H., Hamilton, J. F., Herrmann, H., Hoffmann, T., Iinuma, Y., Jang, M., Jenkin, M. E., Jimenez, J. L., Kiendler-Scharr, A., Maenhaut, W., McFiggans, G., Mentel, Th. F., Monod, A., Prévôt, A. S. H., Seinfeld, J. H., Surratt, J. D., Szmigielski, R., and Wildt, J.: The formation, properties and impact of secondary organic aerosol: current and emerging issues, Atmos. Chem. Phys., 9, 5155-5236, doi:10.5194/acp-9-5155-2009, 2009.
15. He, L.-Y., Lin, Y., Huang, X.-F., Guo, S., Xue, L., Su, Q., Hu, M., Luan, S.-J., and Zhang, Y.-H.: Characterization of highresolution aerosol mass spectra of primary organic aerosol emissions from Chinese cooking and biomass burning, Atmos. Chem. Phys., 10, 11535-11543, doi:10.5194/acp-10-11535-2010, 2010.
16. Herich, H., Hueglin, C., and Buchmann, B.: A 2.5 year's source apportionment study of black carbon from wood burning and fossil fuel combustion at urban and rural sites in Switzerland, Atmos. Meas. Tech., 4, 1409-1420, doi:10.5194/amt-4-1409-2011, 2011.
17. IPCC: IPCC Fourth Assessment Report: The Physical Science Basis, working group I, final report, Geneva, Switzerland, 2007.
18. Jayne, J. T., Leard, D. C., Zhang, X. F., Davidovits, P., Smith, K. A., Kolb, C. E., and Worsnop, D. R.: Development of an aerosol mass spectrometer for size and composition analysis of submicron particles, Aerosol Sci. Technol., 33, 49-70, 2000. (Pubitemid 32001928)
19. Jimenez, J. L., Jayne, J. T., Shi, Q., Kolb, C. E., Worsnop, D. R., Yourshaw, I., Seinfeld, J. H., Flagan, R. C., Zhang, X. F., Smith, K. A., Morris, J. W., and Davidovits, P.: Ambient aerosol sampling using the aerodyne aerosol mass spectrometer, Geophys. Res. Atmos., 108, 8425, doi:10.1029/ 2001JD001213s, 2003.
20. Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prévôt, A. S. H., Zhang, Q., Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken, A. C., Docherty, K. S., Ulbrich, I. M., Grieshop, A. P., Robinson, A. L., Duplissy, J., Smith, J. D., Wilson, K. R., Lanz, V. A., Hueglin, C., Sun, Y. L., Tian, J., Laaksonen, A., Raatikainen, T., Rautiainen, J., Vaattovaara, P., Ehn, M., Kulmala, M., Tomlinson, J. M., Collins, D. R., Cubison, M. J., Dunlea, E. J., Huffman, J. A., Onasch, T. B., Alfarra, M. R., Williams, P. I., Bower, K., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Salcedo, D., Cottrell, L., Griffin, R., Takami, A., Miyoshi, T., Hatakeyama, S., Shimono, A., Sun, J. Y., Zhang, Y. M., Dzepina, K., Kimmel, J. R., Sueper, D., Jayne, J. T., Herndon, S. C., Trimborn, A. M., Williams, L. R., Wood, E. C., Middlebrook, A. M., Kolb, C. E., Baltensperger, U., and Worsnop, D. R.: Evolution of organic aerosols in the atmosphere, Science, 326, 1525-1529, 2009.
21. Lanz, V. A., Alfarra, M. R., Baltensperger, U., Buchmann, B., Hueglin, C., and Prévôt, A. S. H.: Source apportionment of submicron organic aerosols at an urban site by factor analytical modelling of aerosol mass spectra, Atmos. Chem. Phys., 7, 1503-1522, doi:10.5194/acp-7-1503-2007, 2007. (Pubitemid 46473948)
22. Lanz, V. A., Alfarra, M. R., Baltensperger, U., Buchmann, B., Hueglin, C., Szidat, S., Wehrli, M. N., Wacker, L., Weimer, S., Caseiro, A., Puxbaum, H., and Prévôt, A. S. H.: Source attribution of submicron organic aerosols during wintertime inversions by advanced factor analysis of aerosol mass spectra, Environ. Sci. Technol., 42, 214-220, doi:10.1021/es0707207s, 2008.
23. Lanz, V. A., Prévôt, A. S. H., Alfarra, M. R., Weimer, S., Mohr, C., DeCarlo, P. F., Gianini, M. F. D., Hueglin, C., Schneider, J., Favez, O., D'Anna, B., George, C., and Baltensperger, U.: Characterization of aerosol chemical composition with aerosol mass spectrometry in Central Europe: an overview, Atmos. Chem. Phys., 10, 10453-10471, doi:10.5194/acp-10-10453-2010, 2010.
24. Matson, P., Lohse, K. A., and Hall, S. J.: The globalization of nitrogen deposition: Consequences for terrestrial ecosystems, Ambio, 31, 113-119, 2002. (Pubitemid 34414228)
25. Matthew, B. M., Middlebrook, A. M., and Onasch, T. B.: Collection efficiencies in an aerodyne aerosol mass spectrometer as a function of particle phase for laboratory generated aerosols, Aerosol Sci. Technol., 42, 884-898, doi:10.1080/02786820802356797s, 2008.
26. Middlebrook, A. M., Bahreini, R., Jimenez, J. L., and Canagaratna, M. R.: Evaluation of composition-dependent collection efficiencies for the aerodyne aerosol mass spectrometer using field data, Aerosol Sci. Technol., 46, 258-271, doi:10.1080/02786826.2011.620041s, 2012.
27. Mohr, C., DeCarlo, P. F., Heringa, M. F., Chirico, R., Slowik, J. G., Richter, R., Reche, C., Alastuey, A., Querol, X., Seco, R., Peñuelas, J., Jiménez, J. L., Crippa, M., Zimmermann, R., Baltensperger, U., and Prévôt, A. S. H.: Identification and quantification of organic aerosol from cooking and other sources in Barcelona using aerosol mass spectrometer data, Atmos. Chem. Phys., 12, 1649-1665, doi:10.5194/acp-12-1649- 2012, 2012.
28. Ng, N. L., Canagaratna, M. R., Zhang, Q., Jimenez, J. L., Tian, J., Ulbrich, I. M., Kroll, J. H., Docherty, K. S., Chhabra, P. S., Bahreini, R., Murphy, S. M., Seinfeld, J. H., Hildebrandt, L., Donahue, N. M., DeCarlo, P. F., Lanz, V. A., Prévôt, A. S. H., Dinar, E., Rudich, Y., and Worsnop, D. R.: Organic aerosol components observed in Northern Hemispheric datasets from Aerosol Mass Spectrometry, Atmos. Chem. Phys., 10, 4625-4641, doi:10.5194/acp-10-4625-2010, 2010.
29. Ng, N. L., Canagaratna, M. R., Jimenez, J. L., Zhang, Q., Ulbrich, I. M., and Worsnop, D. R.: Real-time methods for estimating organic component mass concentrations from aerosol mass spectrometer data, Environ. Sci. Technol., 45, 910-916, doi:10.1021/es102951ks, 2011a.
30. Ng, N. L., Herndon, S. C., Trimborn, A., Canagaratna, M. R., Croteau, P. L., Onasch, T. B., Sueper, D.,Worsnop, D. R., Zhang, Q., Sun, Y. L., and Jayne, J. T.: An aerosol chemical speciation monitor (ACSM) for routine monitoring of the composition and mass concentrations of ambient aerosol, Aerosol Sci. Technol., 45, 770-784, doi:10.1080/02786826.2011.560211s, 2011b.
31. Paatero, P.: Least squares formulation of robust non-negative factor analysis, Chemometr. Intell. Lab., 37, 23-35, 1997. (Pubitemid 27242783)
32. Paatero, P.: The multilinear engine-A table-driven, least squares program for solving multilinear problems, including the n-way parallel factor analysis model, J. Comput. Graph. Stat., 8, 854-888, 1999.
33. Paatero, P.: User's guide for positive matrix factorization programs PMF2 and PMF3, 2004.
34. Paatero, P. and Hopke, P. K.: Rotational tools for factor analytic models, J. Chemometrics, 23, 91-100, 2009.
35. Paatero, P. and Tapper, U.: Analysis of different modes of factor analysis as least squares fit problems, Chemometr. Intell. Lab., 18, 183-194, 1993. (Pubitemid 23051825)
36. Paatero, P. and Tapper, U.: Positive matrix factorization-a nonnegative factor model with optimal utilization of error-estimates of data values, Environmetrics, 5, 111-126, 1994.
37. Paatero, P., Hopke, P. K., Song, X. H., and Ramadan, Z.: Understanding and controlling rotations in factor analytic models, Chemometr. Intell. Lab., 60, 253-264, 2002. (Pubitemid 34098935)
38. Peng, R. D., Dominici, F., Pastor-Barriuso, R., Zeger, S. L., and Samet, J. M.: Seasonal analyses of air pollution and mortality in 100 US cities, Am. J. Epidemiol., 161, 585-594, doi:10.1093/aje/kwi075s, 2005. (Pubitemid 40349914)
39. Reche, C., Viana, M., Amato, F., Alastuey, A., Moreno, T., Hillamo, R., Teinila, K., Saarnio, K., Seco, R., Penuelas, J., Mohr, C., Prévôt, A. S. H., and Querol, X.: Biomass burning contributions to urban aerosols in a coastal Mediterranean City, Sci. Total Environ., 427, 175-190, doi:10.1016/j.scitotenv.2012.04.012s, 2012.
40. Sandradewi, J., Prévôt, A. S. H., Szidat, S., Perron, N., Alfarra, M. R., Lanz, V. A., Weingartner, E., and Baltensperger, U.: Using aerosol light absorption measurements for the quantitative determination of wood burning and traffic emission contributions to particulate matter, Environ. Sci. Technol., 42, 3316-3323, doi:10.1021/es702253ms, 2008.
41. Slowik, J. G., Vlasenko, A., McGuire, M., Evans, G. J., and Abbatt, J. P. D.: Simultaneous factor analysis of organic particle and gas mass spectra: AMS and PTR-MS measurements at an urban site, Atmos. Chem. Phys., 10, 1969-1988, doi:10.5194/acp-10-1969-2010, 2010.
42. Steinbacher, M., Zellweger, C., Schwarzenbach, B., Bugmann, S., Buchmann, B., Ordonez, C., Prévôt, A. S. H., and Hueglin, C.: Nitrogen oxide measurements at rural sites in Switzerland: Bias of conventional measurement techniques, Geophys. Res. Atmos., 112, D11307, doi:10.1029/2006jd007971s, 2007.
43. Sun, Y.-L., Zhang, Q., Schwab, J. J., Demerjian, K. L., Chen, W.-N., Bae, M.-S., Hung, H.-M., Hogrefe, O., Frank, B., Rattigan, O. V., and Lin, Y.-C.: Characterization of the sources and processes of organic and inorganic aerosols in New York City with a high-resolution time-of-flight aerosol mass apectrometer, Atmos. Chem. Phys., 11, 1581-1602, doi:10.5194/acp-11-1581-2011, 2011.
44. Ulbrich, I. M., Canagaratna, M. R., Zhang, Q., Worsnop, D. R., and Jimenez, J. L.: Interpretation of organic components from positive matrix factorization of aerosol mass spectrometric data, Atmos. Chem. Phys., 9, 2891-2918, doi:10.5194/acp-9-2891-2009, 2009.
45. Watson, J. G.: Visibility: Science and regulation, J. Air Waste Manage. Assoc., 52, 628-713, doi:10.1080/10473289.2002.10470813s, 2002.
46. Wold, S., Esbensen, K., and Geladi, P.: Principal component analysis, Chemometr. Intell. Lab., 2, 37-52, doi:10.1016/0169-7439(87)80084-9s, 1987.
47. Zhang, Q., Alfarra, M. R., Worsnop, D. R., Allan, J. D., Coe, H., Canagaratna, M. R., and Jimenez, J. L.: Deconvolution and quantification of hydrocarbon-like and oxygenated organic aerosols based on aerosol mass spectrometry, Environ. Sci. Technol., 39, 4938-4952, doi:10.1021/es048568Is, 2005. (Pubitemid 40966720)
48. Zhang, Q., Jimenez, J. L., Canagaratna, M. R., Ulbrich, I. M., Ng, N. L., Worsnop, D. R., and Sun, Y.: Understanding atmospheric organic aerosols via factor analysis of aerosol mass spectrometry: a review, Anal. Bioanal. Chem., 401, 3045-3067, doi:10.1007/s00216-011-5355-ys, 2011.