Quantifying uncertainty in stable isotope mixing models
Abstract
Mixing models are powerful tools for identifying biogeochemical sources and determining mixing fractions in a sample. However, identification of actual source contributors is often not simple, and source compositions typically vary or even overlap, significantly increasing model uncertainty in calculated mixing fractions. This study compares three probabilistic methods, SIAR [Parnell et al., 2010] a pure Monte Carlo technique (PMC), and Stable Isotope Reference Source (SIRS) mixing model, a new technique that estimates mixing in systems with more than three sources and/or uncertain source compositions. In this paper, we use nitrate stable isotope examples (δ15N and δ18O) but all methods tested are applicable to other tracers. In Phase I of a three-phase blind test, we compared methods for a set of six-source nitrate problems. PMC was unable to find solutions for two of the target water samples. The Bayesian method, SIAR, experienced anchoring problems, and SIRS calculated mixing fractions that most closely approximated the known mixing fractions. For that reason, SIRS was the only approach used in the next phase of testing. In Phase II, the problem was broadened where any subset of the six sources could be a possible solution to the mixing problem. Results showed a high rate ofmore »
- Authors:
-
- EnviroLogic Inc., Durango, CO (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of California, Santa Barbara, CA (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1221608
- Report Number(s):
- LA-UR-15-23883
Journal ID: ISSN 2169-8953
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Geophysical Research. Biogeosciences
- Additional Journal Information:
- Journal Volume: 120; Journal Issue: 5; Journal ID: ISSN 2169-8953
- Publisher:
- American Geophysical Union
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 54 ENVIRONMENTAL SCIENCES; 58 GEOSCIENCES
Citation Formats
Davis, Paul, Syme, James, Heikoop, Jeffrey, Fessenden-Rahn, Julianna, Perkins, George, Newman, Brent, Chrystal, Abbey E., and Hagerty, Shannon B. Quantifying uncertainty in stable isotope mixing models. United States: N. p., 2015.
Web. doi:10.1002/2014JG002839.
Davis, Paul, Syme, James, Heikoop, Jeffrey, Fessenden-Rahn, Julianna, Perkins, George, Newman, Brent, Chrystal, Abbey E., & Hagerty, Shannon B. Quantifying uncertainty in stable isotope mixing models. United States. https://doi.org/10.1002/2014JG002839
Davis, Paul, Syme, James, Heikoop, Jeffrey, Fessenden-Rahn, Julianna, Perkins, George, Newman, Brent, Chrystal, Abbey E., and Hagerty, Shannon B. Tue .
"Quantifying uncertainty in stable isotope mixing models". United States. https://doi.org/10.1002/2014JG002839. https://www.osti.gov/servlets/purl/1221608.
@article{osti_1221608,
title = {Quantifying uncertainty in stable isotope mixing models},
author = {Davis, Paul and Syme, James and Heikoop, Jeffrey and Fessenden-Rahn, Julianna and Perkins, George and Newman, Brent and Chrystal, Abbey E. and Hagerty, Shannon B.},
abstractNote = {Mixing models are powerful tools for identifying biogeochemical sources and determining mixing fractions in a sample. However, identification of actual source contributors is often not simple, and source compositions typically vary or even overlap, significantly increasing model uncertainty in calculated mixing fractions. This study compares three probabilistic methods, SIAR [Parnell et al., 2010] a pure Monte Carlo technique (PMC), and Stable Isotope Reference Source (SIRS) mixing model, a new technique that estimates mixing in systems with more than three sources and/or uncertain source compositions. In this paper, we use nitrate stable isotope examples (δ15N and δ18O) but all methods tested are applicable to other tracers. In Phase I of a three-phase blind test, we compared methods for a set of six-source nitrate problems. PMC was unable to find solutions for two of the target water samples. The Bayesian method, SIAR, experienced anchoring problems, and SIRS calculated mixing fractions that most closely approximated the known mixing fractions. For that reason, SIRS was the only approach used in the next phase of testing. In Phase II, the problem was broadened where any subset of the six sources could be a possible solution to the mixing problem. Results showed a high rate of Type I errors where solutions included sources that were not contributing to the sample. In Phase III some sources were eliminated based on assumed site knowledge and assumed nitrate concentrations, substantially reduced mixing fraction uncertainties and lowered the Type I error rate. These results demonstrate that valuable insights into stable isotope mixing problems result from probabilistic mixing model approaches like SIRS. The results also emphasize the importance of identifying a minimal set of potential sources and quantifying uncertainties in source isotopic composition as well as demonstrating the value of additional information in reducing the uncertainty in calculated mixing fractions.},
doi = {10.1002/2014JG002839},
journal = {Journal of Geophysical Research. Biogeosciences},
number = 5,
volume = 120,
place = {United States},
year = {Tue May 19 00:00:00 EDT 2015},
month = {Tue May 19 00:00:00 EDT 2015}
}
Web of Science
Works referenced in this record:
A Test of Goodness of Fit
journal, December 1954
- Anderson, T. W.; Darling, D. A.
- Journal of the American Statistical Association, Vol. 49, Issue 268
O 2 and H 2 O are each the source of one O in NO − 2 produced from NH 3 by Nitrosomonas : 15 N-NMR evidence
journal, December 1983
- Andersson, Kristoffer K.; Hooper, Alan B.
- FEBS Letters, Vol. 164, Issue 2
Isotopic Apportionment of Atmospheric and Sewage Nitrogen Sources in Two Connecticut Rivers
journal, September 2007
- Anisfeld, Shimon C.; Barnes, Rebecca T.; Altabet, Mark A.
- Environmental Science & Technology, Vol. 41, Issue 18
Land-use controls on sources and processing of nitrate in small watersheds: insights from dual isotopic analysis
journal, October 2010
- Barnes, Rebecca T.; Raymond, Peter A.
- Ecological Applications, Vol. 20, Issue 7
Resource polygon geometry predicts Bayesian stable isotope mixing model bias
journal, November 2014
- Brett, Mt
- Marine Ecology Progress Series, Vol. 514
The Distribution of Nutrients in the Costa rica dome in the Eastern Tropical Pacific Ocean
journal, April 1965
- Broenkow, William W.
- Limnology and Oceanography, Vol. 10, Issue 1
Analysis of δ 15 N and δ 18 O to differentiate NO 3 − sources in runoff at two watersheds in the Catskill Mountains of New York : DUAL-ISOTOPE ANALYSIS
journal, May 2002
- Burns, Douglas A.; Kendall, Carol
- Water Resources Research, Vol. 38, Issue 5
Measurement of the Oxygen Isotopic Composition of Nitrate in Seawater and Freshwater Using the Denitrifier Method
journal, October 2002
- Casciotti, K. L.; Sigman, D. M.; Hastings, M. Galanter
- Analytical Chemistry, Vol. 74, Issue 19
Oxygen Isotopes in Nitrite: Analysis, Calibration, and Equilibration
journal, March 2007
- Casciotti, Karen L.; Böhlke, John Karl; McIlvin, Matthew R.
- Analytical Chemistry, Vol. 79, Issue 6
Nitrate sources and watershed denitrification inferred from nitrate dual isotopes in the Beijiang River, south China
journal, April 2009
- Chen, Fajin; Jia, Guodong; Chen, Jianyao
- Biogeochemistry, Vol. 94, Issue 2
Evaluation of contamination sources of groundwater NO3 − using nitrogen isotope data: A review
journal, March 2003
- Choi, Woo-Jung; Lee, Sang-Mo; Ro, Hee-Myong
- Geosciences Journal, Vol. 7, Issue 1
Long-Term Impacts of Agriculture on soil Carbon and Nitrogen in new England Forests
journal, August 2000
- Compton, Jana E.; Boone, Richard D.
- Ecology, Vol. 81, Issue 8
Influence of diet on the distribution of nitrogen isotopes in animals
journal, March 1981
- Deniro, Michael J.; Epstein, Samuel
- Geochimica et Cosmochimica Acta, Vol. 45, Issue 3
Variations in the δ15N and δ18O values of nitrate in drainage water of two fertilized fields in Mecklenburg-Vorpommern (Germany)
journal, May 2005
- Deutsch, Barbara; Liskow, Iris; Kahle, Petra
- Aquatic Sciences, Vol. 67, Issue 2
Minmax solutions for underdetermined isotope mixing problems: Reply to Semmens et al. (2013)
journal, September 2013
- Fry, B.
- Marine Ecology Progress Series, Vol. 490
Alternative approaches for solving underdetermined isotope mixing problems
journal, January 2013
- Fry, B.
- Marine Ecology Progress Series, Vol. 472
Dissolved Solids-Discharge Relationships: 1. Mixing Models
journal, June 1970
- Hall, Francis R.
- Water Resources Research, Vol. 6, Issue 3
Mass balance and isotope effects during nitrogen transport through septic tank systems with packed-bed (sand) filters
journal, December 2008
- Hinkle, S.; Bohlke, J.; Fisher, L.
- Science of The Total Environment, Vol. 407, Issue 1
Source of the oxygen atoms of nitrate in the oxidation of nitrite by Nitrobacter agilis and evidence against a PON anhydride mechanism in oxidative phosphorylation
journal, September 1984
- Hollocher, Thomas C.
- Archives of Biochemistry and Biophysics, Vol. 233, Issue 2
Modelling streamwater chemistry as a mixture of soilwater end-members — An application to the Panola Mountain catchment, Georgia, U.S.A.
journal, August 1990
- Hooper, Richard P.; Christophersen, Nils; Peters, Norman E.
- Journal of Hydrology, Vol. 116, Issue 1-4
Infiltration mechanisms related to agricultural waste transport through the soil mantle to karst aquifers of southern Indiana, USA
journal, January 1995
- Igbal, Mohammad Z.; Krothe, Noel C.
- Journal of Hydrology, Vol. 164, Issue 1-4
Identification of nitrate and sulfate sources in groundwater using dual stable isotope approaches for an agricultural area with different land use (Chuncheon, mid-eastern Korea)
journal, August 2009
- Kaown, Dugin; Koh, Dong-Chan; Mayer, Bernhard
- Agriculture, Ecosystems & Environment, Vol. 132, Issue 3-4
Atmospheric Oxygen: Isotopic Composition and Solubility Fractionation
journal, January 1972
- Kroopnick, P.; Craig, H.
- Science, Vol. 175, Issue 4017
New Approaches to Water-Resources Investigations in Upstate New Yorkaa
journal, October 1967
- La Sala, A. M.
- Ground Water, Vol. 5, Issue 4
Assessment of the Sources of Nitrate in the Changjiang River, China Using a Nitrogen and Oxygen Isotopic Approach
journal, March 2010
- Li, Si-Liang; Liu, Cong-Qiang; Li, Jun
- Environmental Science & Technology, Vol. 44, Issue 5
The oxygen isotope composition of nitrate generated by nitrification in acid forest floors
journal, August 2001
- Mayer, Bernhard; Bollwerk, Sandra M.; Mansfeldt, Tim
- Geochimica et Cosmochimica Acta, Vol. 65, Issue 16
Chemical Conversion of Nitrate and Nitrite to Nitrous Oxide for Nitrogen and Oxygen Isotopic Analysis in Freshwater and Seawater
journal, September 2005
- McIlvin, Matthew R.; Altabet, Mark A.
- Analytical Chemistry, Vol. 77, Issue 17
Regional Patterns in the Isotopic Composition of Natural and Anthropogenic Nitrate in Groundwater, High Plains, U.S.A.
journal, May 2006
- McMahon, P. B.; Böhlke, J. K.
- Environmental Science & Technology, Vol. 40, Issue 9
Limitations of Using δ 18 O for the Source Identification of Nitrate in Agricultural Soils
journal, May 2001
- Mengis, Martin; Walther, Ulrich; Bernasconi, Stefano M.
- Environmental Science & Technology, Vol. 35, Issue 9
Nitrate contamination of alluvial groundwaters in the Nakdong River basin, Korea
journal, March 2002
- Min, Joong-Hyuk; Yun, Seong-Taek; Kim, Kangjoo
- Geosciences Journal, Vol. 6, Issue 1
Evaluating the utility of 15N and 18O isotope abundance analyses to identify nitrate sources: A soil zone study
journal, August 2012
- Minet, E.; Coxon, C. E.; Goodhue, R.
- Water Research, Vol. 46, Issue 12
Incorporating uncertainty and prior information into stable isotope mixing models
journal, May 2008
- Moore, Jonathan W.; Semmens, Brice X.
- Ecology Letters, Vol. 11, Issue 5
Evaluating Regional Patterns in Nitrate Sources to Watersheds in National Parks of the Rocky Mountains using Nitrate Isotopes
journal, September 2008
- Nanus, Leora; Williams, Mark W.; Campbell, Donald H.
- Environmental Science & Technology, Vol. 42, Issue 17
Spatial distribution of nitrate sources of rivers in the Lake Biwa watershed, Japan: Controlling factors revealed by nitrogen and oxygen isotope values: NITRATE SOURCES OF RIVERS IN THE LAKE BIWA WATERSHED
journal, July 2010
- Ohte, Nobuhito; Tayasu, Ichiro; Kohzu, Ayato
- Water Resources Research, Vol. 46, Issue 7
Isotopic Evidence of Nitrate Sources and Denitrification in the Mississippi River, Illinois
journal, March 2006
- Panno, Samuel V.; Hackley, Keith C.; Kelly, Walton R.
- Journal of Environmental Quality, Vol. 35, Issue 2
Sources and fate of nitrate in the Illinois River Basin, Illinois
journal, September 2008
- Panno, Samuel V.; Kelly, Walton R.; Hackley, Keith C.
- Journal of Hydrology, Vol. 359, Issue 1-2
Source Partitioning Using Stable Isotopes: Coping with Too Much Variation
journal, March 2010
- Parnell, Andrew C.; Inger, Richard; Bearhop, Stuart
- PLoS ONE, Vol. 5, Issue 3
Uncertainty in source partitioning using stable isotopes
journal, April 2001
- Phillips, Donald L.; Gregg, Jillian W.
- Oecologia, Vol. 127, Issue 2
Source partitioning using stable isotopes: coping with too many sources
journal, July 2003
- Phillips, Donald L.; Gregg, Jillian W.
- Oecologia, Vol. 136, Issue 2
Incorporating concentration dependence in stable isotope mixing models
journal, January 2002
- Phillips, Donald L.; Koch, Paul L.
- Oecologia, Vol. 130, Issue 1
Combining sources in stable isotope mixing models: alternative methods
journal, February 2005
- Phillips, Donald L.; Newsome, Seth D.; Gregg, Jillian W.
- Oecologia, Vol. 144, Issue 4
Best practices for use of stable isotope mixing models in food-web studies
journal, October 2014
- Phillips, Donald L.; Inger, Richard; Bearhop, Stuart
- Canadian Journal of Zoology, Vol. 92, Issue 10
Determination of the ground-water component of peak discharge from the chemistry of total runoff
journal, April 1969
- Pinder, George F.; Jones, John F.
- Water Resources Research, Vol. 5, Issue 2
Perchlorate in Pleistocene and Holocene Groundwater in North-Central New Mexico
journal, March 2006
- Plummer, L. Niel; Böhlke, John Karl; Doughten, Michael W.
- Environmental Science & Technology, Vol. 40, Issue 6
Comparison of hydrochemical tracers to estimate source contributions to peak flow in a small, forested, headwater catchment
journal, July 1998
- Rice, Karen C.; Hornberger, George M.
- Water Resources Research, Vol. 34, Issue 7
Nitrogen-15 and Oxygen-18 Natural Abundance of Potassium Chloride Extractable Soil Nitrate Using the Denitrifier Method
journal, March 2007
- Rock, Luc; Ellert, Benjamin H.
- Soil Science Society of America Journal, Vol. 71, Issue 2
Combined use of 15N and 18O of nitrate and 11B to evaluate nitrate contamination in groundwater
journal, September 2005
- Seiler, Ralph L.
- Applied Geochemistry, Vol. 20, Issue 9
A Bacterial Method for the Nitrogen Isotopic Analysis of Nitrate in Seawater and Freshwater
journal, September 2001
- Sigman, D. M.; Casciotti, K. L.; Andreani, M.
- Analytical Chemistry, Vol. 73, Issue 17
A new method for collection of nitrate from fresh water and the analysis of nitrogen and oxygen isotope ratios
journal, February 2000
- Silva, S. R.; Kendall, C.; Wilkison, D. H.
- Journal of Hydrology, Vol. 228, Issue 1-2
Tracking Sources of Unsaturated Zone and Groundwater Nitrate Contamination Using Nitrogen and Oxygen Stable Isotopes at the Hanford Site, Washington
journal, May 2005
- Singleton, Michael J.; Woods, Katharine N.; Conrad, Mark E.
- Environmental Science & Technology, Vol. 39, Issue 10
To fit or not to fit: evaluating stable isotope mixing models using simulated mixing polygons
journal, April 2013
- Smith, James A.; Mazumder, Debashish; Suthers, Iain M.
- Methods in Ecology and Evolution, Vol. 4, Issue 7
Stable Oxygen Isotope Ratios of Nitrate Produced from Nitrification: 18 O-Labeled Water Incubations of Agricultural and Temperate Forest Soils
journal, July 2010
- Snider, David M.; Spoelstra, John; Schiff, Sherry L.
- Environmental Science & Technology, Vol. 44, Issue 14
Identifying and assessing uncertainty in hydrological pathways: a novel approach to end member mixing in a Scottish agricultural catchment
journal, April 2003
- Soulsby, C.; Petry, J.; Brewer, M. J.
- Journal of Hydrology, Vol. 274, Issue 1-4
Tracing the Sources of Exported Nitrate in the Turkey Lakes Watershed Using 15 N/ 14 N and 18 O/ 16 O isotopic ratios
journal, September 2001
- Spoelstra, John; Schiff, Sherry L.; Elgood, Richard J.
- Ecosystems, Vol. 4, Issue 6
The isotopic composition of nitrate produced from nitrification in a hardwood forest floor
journal, August 2007
- Spoelstra, J.; Schiff, S. L.; Hazlett, P. W.
- Geochimica et Cosmochimica Acta, Vol. 71, Issue 15
A user's guide to Sandia's latin hypercube sampling software : LHS UNIX library/standalone version.
report, July 2004
- Swiler, Laura Painton; Wyss, Gregory Dane
Judgment under Uncertainty: Heuristics and Biases
journal, September 1974
- Tversky, A.; Kahneman, D.
- Science, Vol. 185, Issue 4157
Sources of nitrate and ammonium contamination in groundwater under developing Asian megacities
journal, October 2008
- Umezawa, Yu; Hosono, Takahiro; Onodera, Shin-ichi
- Science of The Total Environment, Vol. 404, Issue 2-3
Fertilizer Characterization: Isotopic Data (N, S, O, C, and Sr)
journal, June 2004
- Otero, Neus; Soler, Albert; Canals, Àngels
- Environmental Science & Technology, Vol. 38, Issue 12
Source identification of nitrate by means of isotopic tracers in the Baltic Sea catchments
journal, January 2006
- Voss, M.; Deutsch, B.; Elmgren, R.
- Biogeosciences, Vol. 3, Issue 4
Including Source Uncertainty and Prior Information in the Analysis of Stable Isotope Mixing Models
journal, June 2010
- Ward, Eric J.; Semmens, Brice X.; Schindler, Daniel E.
- Environmental Science & Technology, Vol. 44, Issue 12
Evaluation of the origin and fate of nitrate in the Abbotsford Aquifer using the isotopes of15N and18O in NO3−
journal, July 1995
- Wassenaar, Leonard I.
- Applied Geochemistry, Vol. 10, Issue 4
Tracking the Sources of Nitrate in Groundwater Using Coupled Nitrogen and Boron Isotopes: A Synthesis
journal, January 2005
- Widory, David; Petelet-Giraud, Emmanuelle; Négrel, Philippe
- Environmental Science & Technology, Vol. 39, Issue 2
18O isotopic separation of stream nitrate sources in mid-Appalachian forested watersheds
journal, October 2001
- Williard, Karl W. J.; DeWalle, David R.; Edwards, Pamela J.
- Journal of Hydrology, Vol. 252, Issue 1-4
Present limitations and future prospects of stable isotope methods for nitrate source identification in surface- and groundwater
journal, March 2009
- Xue, Dongmei; Botte, Jorin; De Baets, Bernard
- Water Research, Vol. 43, Issue 5
Works referencing / citing this record:
Using dual isotopes and a Bayesian isotope mixing model to evaluate sources of nitrate of Tai Lake, China
journal, September 2018
- Liu, Shasha; Wu, Fengchang; Feng, Weiying
- Environmental Science and Pollution Research, Vol. 25, Issue 32
Influences of Atmospheric Pollution on the Contributions of Major Oxidation Pathways to PM 2.5 Nitrate Formation in Beijing
journal, April 2019
- Wang, Yan‐Li; Song, Wei; Yang, Wen
- Journal of Geophysical Research: Atmospheres, Vol. 124, Issue 7
Source appointment of nitrogen in PM 2.5 based on bulk δ 15 N signatures and a Bayesian isotope mixing model
journal, January 2017
- Wang, Yan-Li; Liu, Xue-Yan; Song, Wei
- Tellus B: Chemical and Physical Meteorology, Vol. 69, Issue 1
Ideas and perspectives: Tracing terrestrial ecosystem water fluxes using hydrogen and oxygen stable isotopes – challenges and opportunities from an interdisciplinary perspective
journal, January 2018
- Penna, Daniele; Hopp, Luisa; Scandellari, Francesca
- Biogeosciences, Vol. 15, Issue 21
Ideas and perspectives: Tracing terrestrial ecosystem water fluxes using hydrogen and oxygen stable isotopes - challenges and opportunities from an interdisciplinary perspective
text, January 2018
- Penna, Daniele; Hopp, Luisa; Scandellari, Francesca
- ETH Zurich