http://lod.bco-dmo.org/id/dataset/963717
eng; USA
utf8
dataset
Highest level of data collection, from a common set of sensors or instrumentation, usually within the same research project
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
2025-06-05
ISO 19115-2 Geographic Information - Metadata - Part 2: Extensions for Imagery and Gridded Data
ISO 19115-2:2009(E)
X-ray diffraction (XRD) raw data and Rietveld refinement results for precipitates from shipboard ocean alkalinity enhancement (OAE) experiments in the North Atlantic on R/V Atlantic Explorer cruise AE2320 in September 2023
2025-06-11
publication
2025-06-11
revision
Marine Biological Laboratory/Woods Hole Oceanographic Institution Library (MBLWHOI DLA)
2025-06-30
publication
https://doi.org/10.26008/1912/bco-dmo.963717.1
Mohammed Hashim
Woods Hole Oceanographic Institution
principalInvestigator
Adam V. Subhas
Woods Hole Oceanographic Institution
principalInvestigator
Frieder Klein
Woods Hole Oceanographic Institution
principalInvestigator
Lukas Marx
Woods Hole Oceanographic Institution
principalInvestigator
Daniel C. McCorkle
Woods Hole Oceanographic Institution
principalInvestigator
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
publisher
Cite this dataset as: Hashim, M., Marx, L., Klein, F., Dean, C., Burdige, E., Hayden, M. G., McCorkle, D. C., Subhas, A. V. (2025) X-ray diffraction (XRD) raw data and Rietveld refinement results for precipitates from shipboard ocean alkalinity enhancement (OAE) experiments in the North Atlantic on R/V Atlantic Explorer cruise AE2320 in September 2023. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2025-06-11 [if applicable, indicate subset used]. doi:10.26008/1912/bco-dmo.963717.1 [access date]
XRD data and results for OAE North Atlantic experiments Dataset Description: Methods and Sampling: <p>Experiments were conducted during a research expedition aboard the R/V Atlantic Explorer in the Sargasso Sea (31º40'00''N, 64º10'00''W) at the Bermuda Atlantic Time Series site (BATS) from September 5 to 11, 2023. The experiments were performed in opaque 5L Cali-5-Bond(TM) multi-layer foil bags (Calibrated Instruments), placed in a flow-through incubator where surface seawater was continuously flowed to maintain a constant temperature of approximately 27 degrees Celsius (ºC). Each bag was filled with approximately 3 ± 0.02 liters (L) of unfiltered seawater using a rubber hose that was flushed with water to remove air bubbles, ensuring that no air entered the bags. Bags were rinsed 3 times with seawater before filling and sealing with the Luer-fitted stopcock. The mixed layer at the study site was approximately 40 meters (m) thick, and seawater for the experiment was collected from the upper 10 m. The bags were allowed to float freely in the incubator and they moved continuously due to the boat movement.</p>
<p>Experiments involved the addition of NaOH solution prepared by weighing ACS grade NaOH in the lab prior to the cruise in a plastic Falcon tube that was capped and sealed with parafilm tape. During the cruise, DI water was added to make up stock NaOH solutions with a final concentration of 1 M. The NaOH solution was pipetted into the seawater-filled bags through the Luer-fitted stopcock. Because NaOH contributes only alkalinity but not DIC, seawater in the experiments was out of equilibrium with the atmosphere, which was intended to simulate conditions immediately following alkalinity addition to seawater during OAE deployments.</p>
<p>In total, 5 experiments were conducted. The first experiment (experiment A) was a control with no alkalinity addition. In the second, third, and fourth experiments (B, C, and D), alkalinity was enhanced by 500, 1000, and 2000 micromoles per kilogram (µmol/kg) respectively. The fifth experiment (E) represents a set of "sacrificial" time series experiments whereby 9 bags were prepared similar to other experiments and alkalinity was enhanced by 1000 µmol/kg in each one of them, but each bag was sequentially opened and filtered in order to evaluate the precipitate mineralogy through time. In experiment E, water samples for TA and DIC measurements were taken only at the end of the experiment. The experiments were run for approximately 5 days.</p>
<p>Experiments were quenched by filtering all remaining seawater through 47 mm 0.8 µm polycarbonate filters using a peristaltic pump. Filters were rinsed with deionized and purified water (18.2 MΩ), dried at 55ºC, and stored cool and in the dark. The precipitates were then scraped off the filters and analyzed for mineralogy with X-ray diffraction.</p>
Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-2205984 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=2205984
completed
Mohammed Hashim
Woods Hole Oceanographic Institution
hashimm@usc.edu
pointOfContact
Adam V. Subhas
Woods Hole Oceanographic Institution
508-289-2399
266 Woods Hole Rd. MS#8
Woods Hole
MA
02543
USA
asubhas@whoi.edu
pointOfContact
Frieder Klein
Woods Hole Oceanographic Institution
508-289-3355
Marine Chemistry and Geochemistry Department Room 214 McLean, MS#8
Woods Hole
MA
02543
USA
fklein@whoi.edu
pointOfContact
Lukas Marx
Woods Hole Oceanographic Institution
Marine Chemistry & Geochemistry
Woods Hole
MA
02543
USA
lukas.marx@whoi.edu
pointOfContact
Daniel C. McCorkle
Woods Hole Oceanographic Institution
508-289-2949
Geology & Geophysics 266 Woods Hole Rd MS #08
Woods Hole
MA
02543
USA
dmccorkle@whoi.edu
pointOfContact
asNeeded
Dataset Version: 1
Unknown
Experiment_name
Alkalinity_addition
Sample
Exp_start_day
Exp_start_time
Filtration_start_day
Filtration_time
Filtration_end_day
Filtration_end_time
Duration_till_filtration_started
Duration_till_filtration_ended
Experiment_mean_duration
Filtration_duration
Aragonite
Calcite
Halite
Total
Aragonite_and_calcite_total
Normalized_aragonite
Normalized_calcite
Aragonite_crystallite_size_L
Crystallite_size_error
aragonite_strain_L
strain_error
Aragonite_unit_cell_a
Aragonite_unit_cell_b
Aragonite_unit_cell_c
PANalytical X'Pert PRO X-ray powder diffractometer
theme
None, User defined
experiment id
treatment
sample identification
date
time of day
time_elapsed
relative abundance
No BCO-DMO term
featureType
BCO-DMO Standard Parameters
X-ray diffractometer
instrument
BCO-DMO Standard Instruments
AE2320
service
Deployment Activity
otherRestrictions
otherRestrictions
Access Constraints: none. Use Constraints: Please follow guidelines at: http://www.bco-dmo.org/terms-use Distribution liability: Under no circumstances shall BCO-DMO be liable for any direct, incidental, special, consequential, indirect, or punitive damages that result from the use of, or the inability to use, the materials in this data submission. If you are dissatisfied with any materials in this data submission your sole and exclusive remedy is to discontinue use.
OCE-PRF: Towards Quantifying Calcium Carbonate Sediment Dissolution During Marine Diagenesis
https://osprey.bco-dmo.org/project/955330
OCE-PRF: Towards Quantifying Calcium Carbonate Sediment Dissolution During Marine Diagenesis
<p><em>NSF Award Abstract:</em><br />
OCE-PRF Towards Quantifying Calcium Carbonate Sediment Dissolution During Marine Diagenesis The goal of the project is to investigate dissolution of calcium carbonate (CaCO3) in sediments below the seafloor and determine its importance to the chemistry of seawater. This project uses sediment samples and chemical data collected from different parts of the ocean during the past five decades by scientific ocean drilling programs. Sediment dissolution of carbonate can lessen the impact of ocean acidification, the process that causes the pH of the ocean to decrease due to the uptake of carbon dioxide (CO2) from the atmosphere. Ocean acidification threatens the survival of marine organisms, such as oysters, clams, and coral reefs, which could alter marine food chains and food supply to humans. By improving understanding of carbonate dissolution in the ocean, results from this project will enable better predictions of the effects of ocean acidification on marine organisms. This will advance the progress of science and contribute to the knowledge that can inform public policy. In addition, understanding carbonate sediment dissolution serves other important purposes. For example, dissolution can create small spaces between sediments that may get filled with groundwater once sediments convert to rocks over millions of years. Thus, understanding the occurrence and spatial distribution of spaces within rocks may help determine the volume and movement of groundwater in subsurface aquifers. This project provides support for a postdoctoral research fellow and research training opportunities for students through the Summer Student Fellowship and Woods Hole-wide Partnership Education Programs at the Woods Hole Oceanographic Institution.</p>
<p>Carbonate mineral dissolution is an integral part of the alkalinity and carbon cycles in the ocean and is expected to play an increasingly significant role in mediating changes in ocean chemistry as atmospheric CO2 continues to rise. The goal of this project is to provide thermodynamic constraints necessary for quantifying carbonate sediment dissolution in marine diagenetic environments. Specifically, the CaCO3 saturation state of pore fluids will be calculated in 365 globally distributed sites from previous scientific ocean drilling expeditions using a specially developed Pitzer ion activity model which is particularly useful for calculating activity coefficients in high ionic strength solutions such as those that characterize most diagenetic environments. These calculations will be substantiated with geochemical and textural analyses of sediment samples from four representative sites to identify the specific diagenetic processes (e.g., dissolution, precipitation, and recrystallization) and document the conditions responsible for their occurrence and prevalence. The immediate advantage of calculating the saturation state of pore fluids is that such data can be used to estimate carbonate sediment dissolution below the seafloor and quantify its contribution to the alkalinity and carbon cycles, which will lead to more accurate predictions of the consequences of ocean acidification. Another benefit of the global saturation state dataset is that it will improve our understanding of authigenic carbonate precipitation and its link to the carbon cycle over Earth history, which has been proposed as a significant sink for carbon. Furthermore, by complementing the thermodynamic calculations with textural and geochemical analyses, this project will parse out various diagenetic processes and identify the sedimentological and geochemical conditions responsible for their occurrence. Such knowledge is crucial for evaluating the impact of diagenesis on the carbonate-hosted paleoenvironmental proxies. Collectively, this project will pave the way towards a mechanistic understanding of carbonate diagenesis. This will provide important constraints on the oceanic alkalinity cycle, carbon burial rates, and geochemical proxies, which ultimately help us better understand the future of our ocean system in the context of climate change.</p>
<p>This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.</p>
Marine CaCO3 and ocean chemistry
largerWorkCitation
project
eng; USA
oceans
-64.1667
-64.1667
31.6667
31.6667
2023-09-05
2023-09-11
0
BCO-DMO catalogue of parameters from X-ray diffraction (XRD) raw data and Rietveld refinement results for precipitates from shipboard ocean alkalinity enhancement (OAE) experiments in the North Atlantic on R/V Atlantic Explorer cruise AE2320 in September 2023
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
http://lod.bco-dmo.org/id/dataset-parameter/964726.rdf
Name: Experiment_name
Units: unitless
Description: <p>The name of the experiment (see method for details)</p>
http://lod.bco-dmo.org/id/dataset-parameter/964727.rdf
Name: Alkalinity_addition
Units: micromoles per kilogram (umol/kg)
Description: <p>The amount of alkalinity added in each experiment</p>
http://lod.bco-dmo.org/id/dataset-parameter/964728.rdf
Name: Sample
Units: unitless
Description: <p>Samples within the experiments. Samples that end in _1 and _2 are replicates.</p>
http://lod.bco-dmo.org/id/dataset-parameter/964729.rdf
Name: Exp_start_day
Units: unitless
Description: <p>Date when the experiment started</p>
http://lod.bco-dmo.org/id/dataset-parameter/964730.rdf
Name: Exp_start_time
Units: unitless
Description: <p>Time of the day when the experiment started (local time, Atlantic Time Zone)</p>
http://lod.bco-dmo.org/id/dataset-parameter/964731.rdf
Name: Filtration_start_day
Units: unitless
Description: <p>Date when the experiment was quenched and filtration started</p>
http://lod.bco-dmo.org/id/dataset-parameter/964732.rdf
Name: Filtration_time
Units: unitless
Description: <p>Time when the experiment was quenched and filtration started (local time, Atlantic Time Zone)</p>
http://lod.bco-dmo.org/id/dataset-parameter/964733.rdf
Name: Filtration_end_day
Units: unitless
Description: <p>Date when the filtration was finished</p>
http://lod.bco-dmo.org/id/dataset-parameter/964734.rdf
Name: Filtration_end_time
Units: unitless
Description: <p>Time when filtration was finished (local time, Atlantic Time Zone)</p>
http://lod.bco-dmo.org/id/dataset-parameter/964735.rdf
Name: Duration_till_filtration_started
Units: hours
Description: <p>Duration of experiment until filtration started</p>
http://lod.bco-dmo.org/id/dataset-parameter/964736.rdf
Name: Duration_till_filtration_ended
Units: hours
Description: <p>Duration of experiment until filtration ended</p>
http://lod.bco-dmo.org/id/dataset-parameter/964737.rdf
Name: Experiment_mean_duration
Units: hours
Description: <p>Duration of experiment in hours until the mid point between the time when filtration started and finished</p>
http://lod.bco-dmo.org/id/dataset-parameter/964738.rdf
Name: Filtration_duration
Units: hours
Description: <p>The duration of filtration in hours</p>
http://lod.bco-dmo.org/id/dataset-parameter/964739.rdf
Name: Aragonite
Units: percent
Description: <p>The relative abundance of aragonite in sample</p>
http://lod.bco-dmo.org/id/dataset-parameter/964740.rdf
Name: Calcite
Units: percent
Description: <p>The relative abundance of calcite in sample</p>
http://lod.bco-dmo.org/id/dataset-parameter/964741.rdf
Name: Halite
Units: percent
Description: <p>The relative abundance of halite in sample</p>
http://lod.bco-dmo.org/id/dataset-parameter/964742.rdf
Name: Total
Units: percent
Description: <p>The summation of aragonite, calcite, and halite</p>
http://lod.bco-dmo.org/id/dataset-parameter/964743.rdf
Name: Aragonite_and_calcite_total
Units: percent
Description: <p>Summation of aragonite and calcite abundances</p>
http://lod.bco-dmo.org/id/dataset-parameter/964744.rdf
Name: Normalized_aragonite
Units: percent
Description: <p>The ratio of aragonite to the total of aragonite and calcite (to remove halite since it precipitated during filter drying)</p>
http://lod.bco-dmo.org/id/dataset-parameter/964745.rdf
Name: Normalized_calcite
Units: percent
Description: <p>The ratio of aragonite to the total of aragonite and calcite (to remove halite since it precipitated during filter drying)</p>
http://lod.bco-dmo.org/id/dataset-parameter/964746.rdf
Name: Aragonite_crystallite_size_L
Units: nanometers (nm)
Description: <p>Aragonite crystallite size in nanometer using the Lorentzian convolution</p>
http://lod.bco-dmo.org/id/dataset-parameter/964747.rdf
Name: Crystallite_size_error
Units: nanometers (nm)
Description: <p>Error in crystallite size (nm) as calculated by TOPAS program</p>
http://lod.bco-dmo.org/id/dataset-parameter/964748.rdf
Name: aragonite_strain_L
Units: percent
Description: <p>The strain of aragonite in percent using the Lorentzian convolution</p>
http://lod.bco-dmo.org/id/dataset-parameter/964749.rdf
Name: strain_error
Units: percent
Description: <p>Error in strain (%) as calculated by TOPAS program</p>
http://lod.bco-dmo.org/id/dataset-parameter/964750.rdf
Name: Aragonite_unit_cell_a
Units: angstroms
Description: <p>Unit cell parameter a of aragonite in Angstroms</p>
http://lod.bco-dmo.org/id/dataset-parameter/964751.rdf
Name: Aragonite_unit_cell_b
Units: angstroms
Description: <p>Unit cell parameter b of aragonite in Angstroms</p>
http://lod.bco-dmo.org/id/dataset-parameter/964752.rdf
Name: Aragonite_unit_cell_c
Units: angstroms
Description: <p>Unit cell parameter c of aragonite in Angstroms</p>
GB/NERC/BODC > British Oceanographic Data Centre, Natural Environment Research Council, United Kingdom
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
3187
https://darchive.mblwhoilibrary.org/server/api/core/bitstreams/7767c3a1-d1fd-4181-86a2-3d7cb2e0cd4f/content
download
https://doi.org/10.26008/1912/bco-dmo.963717.1
download
onLine
dataset
<p>Experiments were conducted during a research expedition aboard the R/V Atlantic Explorer in the Sargasso Sea (31º40'00''N, 64º10'00''W) at the Bermuda Atlantic Time Series site (BATS) from September 5 to 11, 2023. The experiments were performed in opaque 5L Cali-5-Bond(TM) multi-layer foil bags (Calibrated Instruments), placed in a flow-through incubator where surface seawater was continuously flowed to maintain a constant temperature of approximately 27 degrees Celsius (ºC). Each bag was filled with approximately 3 ± 0.02 liters (L) of unfiltered seawater using a rubber hose that was flushed with water to remove air bubbles, ensuring that no air entered the bags. Bags were rinsed 3 times with seawater before filling and sealing with the Luer-fitted stopcock. The mixed layer at the study site was approximately 40 meters (m) thick, and seawater for the experiment was collected from the upper 10 m. The bags were allowed to float freely in the incubator and they moved continuously due to the boat movement.</p>
<p>Experiments involved the addition of NaOH solution prepared by weighing ACS grade NaOH in the lab prior to the cruise in a plastic Falcon tube that was capped and sealed with parafilm tape. During the cruise, DI water was added to make up stock NaOH solutions with a final concentration of 1 M. The NaOH solution was pipetted into the seawater-filled bags through the Luer-fitted stopcock. Because NaOH contributes only alkalinity but not DIC, seawater in the experiments was out of equilibrium with the atmosphere, which was intended to simulate conditions immediately following alkalinity addition to seawater during OAE deployments.</p>
<p>In total, 5 experiments were conducted. The first experiment (experiment A) was a control with no alkalinity addition. In the second, third, and fourth experiments (B, C, and D), alkalinity was enhanced by 500, 1000, and 2000 micromoles per kilogram (µmol/kg) respectively. The fifth experiment (E) represents a set of "sacrificial" time series experiments whereby 9 bags were prepared similar to other experiments and alkalinity was enhanced by 1000 µmol/kg in each one of them, but each bag was sequentially opened and filtered in order to evaluate the precipitate mineralogy through time. In experiment E, water samples for TA and DIC measurements were taken only at the end of the experiment. The experiments were run for approximately 5 days.</p>
<p>Experiments were quenched by filtering all remaining seawater through 47 mm 0.8 µm polycarbonate filters using a peristaltic pump. Filters were rinsed with deionized and purified water (18.2 MΩ), dried at 55ºC, and stored cool and in the dark. The precipitates were then scraped off the filters and analyzed for mineralogy with X-ray diffraction.</p>
Specified by the Principal Investigator(s)
<p>Data were processed using the fundamental-parameters Rietveld refinement program TOPAS V7 (Coelho, 2018). The data were corrected for an instrument zero error determined using the NIST standard LaB₆ (660c), which has a certified unit-cell parameter of 4.156826 Å, crystallite size (L(vol)) of 500 nanometers (nm), and no micro-strain related peak broadening.</p>
Specified by the Principal Investigator(s)
- Imported sheet 2 of original file "Hashim et al OAE resaerch data_XRD raw and results.xlsx" into the BCO-DMO system.
- Flagged "NA" as a missing data identifier (missing data are blank/empty in the final CSV file).
- Renamed fields to comply with BCO-DMO naming conventions.
- Converted date columns to YYYY-MM-DD format.
- Saved the final file as "963717_v1_xrd_results.csv".
- Converted sheet 1 of original file "Hashim et al OAE resaerch data_XRD raw and results.xlsx" to CSV format and saved as "963717_v1_xrd_raw_data.csv".
Specified by BCO-DMO Data Managers
asNeeded
7.x-1.1
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
PANalytical X'Pert PRO X-ray powder diffractometer
PANalytical X'Pert PRO X-ray powder diffractometer
PI Supplied Instrument Name: PANalytical X'Pert PRO X-ray powder diffractometer PI Supplied Instrument Description:PANalytical X'Pert PRO X-ray powder diffractometer using a Cu anode and an X'Celerator Scientific 1D position-sensitive detector in Bragg-Brentano geometry Instrument Name: X-ray diffractometer Instrument Short Name:XRD Instrument Description: Instruments that identify crystalline solids by measuring the characteristic spaces between layers of atoms or molecules in a crystal.
Cruise: AE2320
AE2320
R/V Atlantic Explorer
Community Standard Description
International Council for the Exploration of the Sea
R/V Atlantic Explorer
vessel
AE2320
Benjamin A.S. Van Mooy
Woods Hole Oceanographic Institution
R/V Atlantic Explorer
Community Standard Description
International Council for the Exploration of the Sea
R/V Atlantic Explorer
vessel