%%READ-ME%%

contact Kim Prather @ kprather@ucsd.edu or Camille Sultana @ csultana@ucsd.edu for any questions and details on data pre-processing, collection

Particle and m/z data for all files is arranged in rows. Mass spectra in the first row of the NEG and POSmzdata... files belongs to the particle in the first row of the PARTICLEdata... file. Mass spectra in the second row of the NEG and POSmzdata... files belongs to the particle in the second row of the PARTICLEdata... file. Etc.
To minimize file size these files contain data for 1 out of every 10 particles utilized in "Expanding Single Particle Mass Spectrometer Analyses for the Identification of Microbe Signatures in Sea Spray Aerosols".


%subsample_PARTICLEdata_topublish.txt
Each row contains data for a single particle arranged in columns. Columns are delimited by commas.
Column 1: Time and date of data acquistion. This is writtin in Matlab serial date numbers which start with 1 = January 1, 0000 A.D.
Column 2: Vacuum aerodynamic size of particle in micrometers.
Column 3: Measured laser pulse energy in mJ. If the value was not recorded due to communication issues between the computer and the laser probe then -999.00 is written.
Column 4: Whether the particle was classified as BioSS (1) or not (0).

%subsample_NEGMZdata_topublish.txt
Each row contains the negative mass spectral data for a single particle. Each column is a half integer starting at -0.5 going to -300.  So the second column is the data for -1 m/z (-0.75 to -1.25), the 20th column is the data for -10 m/z (-9.75 to -10.25) etc.  The data provided is the integrated (so area under the curve) total ion response within each m/z bin.

%subsample_POSMZdata_topublish.txt
Each row contains the positive mass spectral data for a single particle. Each column is a half integer starting at 0.5 going to 300.  So the second column is the data for 1 m/z (0.75 to 1.25), the 20th column is the data for 10 m/z (9.75 to 10.25) etc.  The data provided is the integrated (so area under the curve) total ion response within each m/z bin.

Note there is significant particle to particle variation in the time of flights of the ions making m/z calibration difficult, so the mass spectra must be carefully assessed before assigning a specific m/z or ion identity to any signal.