Dataset: GT10-11 - Aerosol 1H NMR

Name: Spectral magnitude data for 0.0008 ppm bands from aerosol water soluble organic matter 1H NMR spectra from R/V Knorr GEOTRACES cruises KN199-04 and KN204-01 in the Subtropical northern Atlantic Ocean in 2010 and 2011
Published: 2015-12-29
Keywords: oceans

Cite This Dataset

Spatial Extent: N:39.71 E:-9.66 S:17.35 W:-69.87

Project:

Role of Organic Matter in Determining the Solubility of Atmospherically-Delivered Iron (GEOTRACES Aerosol OM)

U.S. GEOTRACES North Atlantic Transect (GA03) (U.S. GEOTRACES NAT)

Program:

U.S. GEOTRACES (U.S. GEOTRACES)

Principal Investigator:

Andrew S. Wozniak (Old Dominion University, ODU)

Co-Principal Investigator:

Patrick G. Hatcher (Old Dominion University, ODU)

BCO-DMO Data Manager:

Shannon Rauch (Woods Hole Oceanographic Institution, WHOI BCO-DMO)

Version:

29 Dec 2015

Version Date:

2015-12-29

Restricted:

Validated:

Yes

Current State:

Final no updates expected

Spectral magnitude data for 0.0008 ppm bands from aerosol water soluble organic matter 1H NMR spectra from R/V Knorr GEOTRACES cruises KN199-04 and KN204-01 in the Subtropical northern Atlantic Ocean in 2010 and 2011

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Description

The sampling details and identities of each of the samples is provided in addtion to the NMR data. This includeds: starting and ending locations (latitudes and longitudes) and times (Greenwich mean time) as well as the sampling rates (m3 min-1) and calculated sample volumes (m3) for each of the aerosol samples. The run times (measured in hours) and sample volumes account for periods when the sampler was stopped due to potential contamination from the ship’s stack. The NMR data are reported as spectral intensity units, which are non-quantitative, and chemical shift - at parts per million difference from a reference signal, the hydrogens in tetramethylsilane. Spectral images are also provided as JPEG files. These images show the NMR spectra from which the numerical data are derived.

Methods & Sampling

The analytical and data processing methodology have been described in Wozniak et al. (2013, 2015). The full citations for these references are below. A summary of the methods is quoted here:
Aerosol WSOM was minimally diluted with D2O and analyzed on a Bruker Biospin Avance III 400 MHz NMR with a broadband inverse solution state probe at ODU’s College of Sciences Major Instrumentation Cluster facility using a water suppression technique described previously (e.g., Wozniak et al., 2013). WSOM samples were diluted to a final composition of 9:1 sample:D2O and 500 µL of this solution was added to 5 mm glass NMR tubes and analyzed without further manipulation. Spectra were acquired using a 2 s recycle delay, a 119 ms acquisition time, a time domain of 16 k, and co-adding 8000 scans. The summed free induction decay signal was exponentially multiplied and zero-filled once. The spectra were processed with a line broadening of 3 Hz.

* During data processing for publications from this work (Wozniak et al., 2013, 2015), spectral chemical shifts corresponding to potential solvent interferences from hydrogens in residual water (region excluded: 4.6 ppm to 4.8 ppm), methanol (region excluded: 3.28 ppm to 3.46 ppm), and tetramethylsilane (region excluded: <0.095 ppm) were set to 0. The data archived here do not have these sections set to 0.

** The data for samples 7587, 8044, and 8045 have been flagged as bad and are not included here. Multiple attempts were made to rerun these samples, but adequate spectra were not obtained.

References:
Wozniak, A. S., R. L. Sleighter, H. Abdulla, A. S. Priest, P. L. Morton, R. U. Shelley, W. M. Landing, and P. G. Hatcher. 2013. Relationships among aerosol water soluble organic matter, iron and aluminum in European, North African, and Marine air masses from the 2010 US GEOTRACES cruise. Marine Chemistry, 154, 24-33. doi:10.1016/j.marchem.2013.04.011

Wozniak, A. S., R. U. Shelley, S. M. McElhenie, A. S. Willoughby, W. M. Landing, P. G. Hatcher. 2015. Insights into potential Fe-binding aerosol water soluble organic ligands from the 2011 US GEOTRACES cruise. Marine Chemistry, 173, 162-172, doi:10.1016/j.marchem.2014.11.002

Data Processing Description

BCO-DMO Processing:
- Modified parameter names to conform with BCO-DMO naming conventions;
- added cruise id, event numbers, and station numbers from BCO-DMO GEOTRACES NAT master event file;
- replaced missing data with 'nd';
- converted date-time fields to ISO format;
- changed longitude values to negative.

Data Files

File
GT10-11_NMR.csv (Comma Separated Values (.csv), 121.92 MB) MD5:99984908bd14ef499aee19e850f9d6e8 Primary data file for dataset ID 652808

More Information about this dataset

Funding Sources

Funding Source	Award Number
NSF Division of Ocean Sciences	OCE-1234166

Deployments

Deployment	Synonyms	Start Date	Platform	Investigator
KN199-04	GA03 GT10 USGT-NAT-2010 KN199-4 GNAT U.S. GEOTRACES NAZT Leg 1 knorr199-4/5 Section Cruise (GA03) 316N20101015	2010-10-15	R/V Knorr	William J. Jenkins (Chief Scientist) Edward A. Boyle (Co-Chief Scientist) Gregory A. Cutter (Co-Chief Scientist)	data info
KN204-01	GA03 GT11 KN204-01A KN204-01B USGT-NAT-2011 USGNAZT GNAT 316N20111106 KN204-1	2011-11-06	R/V Knorr	Edward A. Boyle (Chief Scientist) Gregory A. Cutter (Co-Chief Scientist)	data info

Instruments

Aerosol Sampler

Supplied Name:

Supplied Description:

Instrument Type

Generic Name: Aerosol Sampler

Community Identifier: http://vocab.nerc.ac.uk/collection/L05/current/13/

Generic Description:

A device that collects a sample of aerosol (dry particles or liquid droplets) from the atmosphere.

Nuclear Magnetic Resonance Spectrometers

Supplied Name: Bruker Biospin Avance III 400 MHz NMR

Supplied Description:

Aerosol WSOM was minimally diluted with D2O and analyzed on a Bruker Biospin Avance III 400 MHz NMR with a broadband inverse solution state probe at ODU’s College of Sciences Major Instrumentation Cluster facility.

Instrument Type

Generic Name: Nuclear Magnetic Resonance Spectrometers

Acronym: NMR

Community Identifier: http://vocab.nerc.ac.uk/collection/L05/current/LAB18/

Generic Description:

Instruments that identify and quantify magnetically active chemical entities by subjecting a sample to orthogonal magnetic and electrical fields.

Parameters

Date and time formats are described in python strftime() syntax.

Supplied Name	Supplied description	Supplied Units	Standard Name
cruise_id	Cruise identifer	unitless	cruise_id
sample_GEOTRC	GEOTRACES sample number	unitless	sample
event_GEOTRC	GEOTRACES event number; added from the BCO-DMO GEOTRACES NAT master events file.	unitless	event
station	Station number; added from the BCO-DMO GEOTRACES NAT master events file.	unitless	sta
filter_size	Filter size. Whatman QMA filters are typically sold as 8"x10" sheets in the U.S.	inches	filter_size
filter_type	Filter type	unitless	no_bcodmo_term
lat_start	Latitude at the start of the sampling event.	decimal degrees	lat_start
lon_start	Longitude at the start of the sampling event.	decimal degrees	lon_start
ISO_DateTime_UTC_Start	Date and time, formatted to ISO8601 standard, at the start of the sampling event. Format: YYYY-mm-ddTHH:MM:SS.xx	unitless	ISO_DateTime_UTC
lat_end	Latitude at the end of the sampling event.	decimal degrees	lat_end
lon_end	Longitude at the end of the sampling event.	decimal degrees	lon_end
ISO_DateTime_UTC_End	Date and time, formatted to ISO8601 standard, at the end of the sampling event. Format: YYYY-mm-ddTHH:MM:SS.xx	unitless	ISO_DateTime_UTC
run_time	Run time in hours	hours	no_bcodmo_term
flow_rate	Sampling rate	cubic meters per minute (m3 min-1)	no_bcodmo_term
total	Total sample size	cubic meters (m3)	no_bcodmo_term
NMR_spectral_image	Link to spectral image (JPEG file) showing the NMR spectra from which the data are derived.	unitless	no_bcodmo_term
chemical_shift	Chemical shift measured as parts per million difference from a reference signal, the hydrogens in tetramethylsilane.	parts per million (ppm)	no_bcodmo_term
spectral_intensity	Spectral intensity	spectral intensity units (non-quantitative)	no_bcodmo_term

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Database

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Dataset: GT10-11 - Aerosol 1H NMR