This readme file was generated on 2024-07-16 by Adam Thomas

GENERAL INFORMATION

Author/Principal Investigator Information

Name: James Smith

ORCID: 0000-0003-4677-8224

Institution: University of California, Irvine

Address: Rowland Hall Room 317C, Irvine, CA 92697

Email: jimsmith@uci.edu

Author/Associate or Co-investigator Information

Name: Adam Thomas

Institution: University of California, Irvine

Address: Irvine, CA 92697

Email: adamet1@uci.edu

Date of data collection: 2016-09 to 2017-06

Geographic location of data collection: Santarém-Km67-Primary Forest (BR-Sa1) tower site (2.857° S, 54.959° W),Pára, Brazil.

Information about funding sources that supported the collection of the data:

Brazilian Science Mobility Program (Programa Ciência sem Fronteiras) Special Visiting Researcher Scholarship supported by the Brazilian government.
Ramón y Cajal grant (RYC2020-410029216-I) funded by MCIN/AEI/ 10.13039/501100011033
“ESF Investing in your future”. IDAEA-CSIC is a Severo Ochoa Centre of Research Excellence (MCIN/AEI, Project CEX2018-000794-S)
US Department of Energy (DE-SC0012704)

Links to publications that cite or use the data:

Thomas, A. E., Glicker, H. S., Guenther, A. B., Seco, R., Vega Bustillos, O., Tota, J., Souza, R. A. F., and Smith, J. N.: Seasonal Investigation of Ultrafine Particle Composition in an Eastern Amazonian Rainforest, Atmos. Chem. Phys. [URL]

Recommended citation for this dataset: Smith, James (2024), Supporting Data for "Seasonal Investigation of Ultrafine Particle Composition in an Eastern Amazonian Rainforest", Dryad [dataset], [URL]

DATA & FILE OVERVIEW

File List:
apin_o3_mz187.098_EIC.csv
apin_o3_mz203_EIC.csv
apin_o3_mz203_ms2.csv
DEC_mz187.098_EIC.csv
DEC_mz203_EIC.csv
DEC_peak_list.csv
JUN_mz203_EIC.csv
JUN_peak_list.csv
NSMPS_averages.csv
SEP_mz187.0612_ms2.csv
SEP_mz187.098_EIC.csv
SEP_mz203_EIC.csv
SEP_mz203_ms2.csv
SEP_mz215_ms2.csv
SEP_peak_list.csv

METHODOLOGICAL INFORMATION

Description of methods used for collection and processing of data, instrumentation, and specific software information can be found in this publication: Thomas, A. E., Glicker, H. S., Guenther, A. B., Seco, R., Vega Bustillos, O., Tota, J., Souza, R. A. F., and Smith, J. N.: Seasonal Investigation of Ultrafine Particle Composition in an Eastern Amazonian Rainforest, Atmos. Chem. Phys. [URL]

Missing data code: n/a

DATA-SPECIFIC INFORMATION FOR ALL DATA FILES:

• File: apin_o3_mz187.098_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 187.098 from the alpha-pinene ozonolysis experiment described in manuscript. Presented with the following variables:
  mz187_EIC_apin_time: chromatographic retention time (min)
  mz187_EIC_apin_rel: ion signal intensity (counts)

• File: apin_o3_mz203_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 203.056 from the alpha-pinene ozonolysis experiment described in manuscript. Presented with the following variables:
  mz203_210309_EIC_time: chromatographic retention time (min)
  mz203_210309_EIC_rel_abundance: ion signal intensity (counts)

• File: apin_o3_mz203_ms2.csv
  Composite Higher Energy Dissociation (HCD) fragmentation mass spectrum at the 10, 30, and 50 HCD energy levels for ion detected with m/z 203.056 from the alpha-pinene ozonolysis experiment described in manuscript. Presented with the following variables:
  mz203_210309_MS2_mass: mass-to-charge ratio (m/z)
  mz203_210309_MS2_rel_int: ion signal intensity (counts)

• File: DEC_mz187.098_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 187.098 from the DEC sample. Presented with the following variables:
  mz187_EIC_dec_time: chromatographic retention time (min)
  mz187_EIC_dec_rel: ion signal intensity (counts)

• File: DEC_mz203_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 203.056 from the DEC sample. Presented with the following variables:
  mz203_EIC_dec_time: chromatographic retention time (min)
  mz203_EIC_dec_rel: ion signal intensity (counts)

• File: DEC_peak_list.csv
  Full list of assigned and unassigned mass spectrum peaks detected in DEC sample, sorted by ascending m/z. Presented with the following variables:
  m/z: mass-to-charge ratio
  intensity: ion signal intensity (counts)
  #C: number of carbon atoms assigned
  #H: number of hydrogen atoms assigned
  #O: number of oxygen atoms assigned
  #N: number of nitrogen atoms assigned
  #S: number of sulfur atoms assigned
  note: if atom # columns are unfilled, peak was not assigned an ion formula.

• File: JUN_mz203_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 203.056 from the JUN sample. Presented with the following variables:
  mz203_EIC_jun_time: chromatographic retention time (min)
  mz203_EIC_jun_rel: ion signal intensity (counts)

• File: JUN_peak_list.csv
  Full list of assigned and unassigned mass spectrum peaks detected in JUN sample, sorted by ascending m/z. Presented with the following variables:
  m/z: mass-to-charge ratio
  intensity: ion signal intensity (counts)
  #C: number of carbon atoms assigned
  #H: number of hydrogen atoms assigned
  #O: number of oxygen atoms assigned
  #N: number of nitrogen atoms assigned
  #S: number of sulfur atoms assigned
  note: if atom # columns are unfilled, peak was not assigned an ion formula.

• File: NSMPS_averages.csv
  Time averaged particle number-size distributions of the particles collected for the JUN, SEP, and DEC samples. Presented with the following variables:
  DpWv: electrical mobility diameter (nm)
  dndlogdp_jun_avg: average particle concentration (dN/dlogDp, cm^{-3) during JUN collection.
  dndlogdp_sept_avg: average particle concentration (dN/dlogDp, cm}-3) during SEP collection.
  dndlogdp_dec_avg: average particle concentration (dN/dlogDp, cm^-3) during DEC collection.

• File: SEP_mz187.0612_ms2.csv
  Composite Higher Energy Dissociation (HCD) fragmentation mass spectrum at the 10, 30, and 50 HCD energy levels for ion detected with m/z 187.0612 from the SEP sample. Presented with the following variables:
  Mass: mass-to-charge ratio (m/z)
  Intensity: ion signal intensity (counts)

• File: SEP_mz187.098_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 187.098 from the SEP sample. Presented with the following variables:
  mz187_EIC_sep_time: chromatographic retention time (min)
  mz187_EIC_sep_rel: ion signal intensity (counts)

• File: SEP_mz203_EIC.csv
  Extracted ion current (EIC) chromatogram for ion detected with m/z 203.056 from the SEP sample. Presented with the following variables:
  mz203_sep_EIC_time: chromatographic retention time (min)
  mz203_sep_EIC_rel_abundance: ion signal intensity (counts)

• File: SEP_mz203_ms2.csv
  Composite Higher Energy Dissociation (HCD) fragmentation mass spectrum at the 10, 30, and 50 HCD energy levels for ion detected with m/z 203.056 from the SEP sample. Presented with the following variables:
  mz203_210309_MS2_mass: mass-to-charge ratio (m/z)
  mz203_210309_MS2_rel_int: ion signal intensity (counts)

• File: SEP_mz215_ms2.csv
  Composite Higher Energy Dissociation (HCD) fragmentation mass spectrum at the 10, 30, and 50 HCD energy levels for ion detected with m/z 215.023 from the SEP sample. Presented with the following variables:
  mz203_sep_MS2_mass: mass-to-charge ratio (m/z)
  mz203_sep_MS2_rel_int: ion signal intensity (counts)

• File: SEP_peak_list.csv
  Full list of assigned and unassigned mass spectrum peaks detected in SEP sample, sorted by ascending m/z. Presented with the following variables:
  m/z: mass-to-charge ratio
  intensity: ion signal intensity (counts)
  #C: number of carbon atoms assigned
  #H: number of hydrogen atoms assigned
  #O: number of oxygen atoms assigned
  #N: number of nitrogen atoms assigned
  #S: number of sulfur atoms assigned
  note: if atom # columns are unfilled, peak was not assigned an ion formula.