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USGS2000

Statistical Approaches to Interpretation of Local, Regional, and National Highway-Runoff and Urban-Stormwater Data

Decision makers need viable methods for the interpretation of local, regional, and national-highway runoff and urban-stormwater data including flows, concentrations and loads of chemical constituents and sediment, potential effects on receiving waters, and the potential effectiveness of various best management practices (BMPs). Valid (useful for intended purposes), current, and technically defensible stormwater-runoff models are needed to interpret data collected in field studies, to support existing highway and urban-runoffplanning processes, to meet National Pollutant Discharge Elimination System (NPDES) requirements, and to provide methods for computation of Total Maximum Daily Loads (TMDLs) systematically and economically. Historically, conceptual, simulation, empirical, and statistical models of varying levels of detail, complexity, and uncertainty have been used to meet various data-quality objectives in the decision-making processes necessary for the planning, design, construction, and maintenance of highways and for other land-use applications. Water-quality simulation models attempt a detailed representation of the physical processes and mechanisms at a given site. Empirical and statistical regional water-quality assessment models provide a more general picture of water quality or changes in water quality over a region. All these modeling techniques share one common aspect-their predictive ability is poor without suitable site-specific data for calibration. To properly apply the correct model, one must understand the classification of variables, the unique characteristics of water-resources data, and the concept of population structure and analysis. Classifying variables being used to analyze data may determine which statistical methods are appropriate for data analysis. An understanding of the characteristics of water-resources data is necessary to evaluate the applicability of different statistical methods, to interpret the results of these techniques, and to use tools and techniques that account for the unique nature of water-resources data sets. Populations of data on stormwater-runoff quantity and quality are often best modeled as logarithmic transformations. Therefore, these factors need to be considered to form valid, current, and technically defensible stormwater-runoff models. Regression analysis is an accepted method for interpretation of water-resources data and for prediction of current or future conditions at sites that fit the input data model. Regression analysis is designed to provide an estimate of the average response of a system as it relates to variation in one or more known variables. To produce valid models, however, regression analysis should include visual analysis of scatterplots, an examination of the regression equation, evaluation of the method design assumptions, and regression diagnostics. A number of statistical techniques are described in the text and in the appendixes to provide information necessary to interpret data by use of appropriate methods. Uncertainty is an important part of any decisionmaking process. In order to deal with uncertainty problems, the analyst needs to know the severity of the statistical uncertainty of the methods used to predict water quality. Statistical models need to be based on information that is meaningful, representative, complete, precise, accurate, and comparable to be deemed valid, up to date, and technically supportable. To assess uncertainty in the analytical tools, the modeling methods, and the underlying data set, all of these components need be documented and communicated in an accessible format within project publications.

Open-File Report↗

USGS1987

Methods for geochemical analysis

The laboratories for analytical chemistry within the Geologic Division of the U.S. Geological Survey are administered by the Office of Mineral Resources. The laboratory analysts provide analytical support to those programs of the Geologic Division that require chemical information and conduct basic research in analytical and geochemical areas vital to the furtherance of Division program goals. Laboratories for research and geochemical analysis are maintained at the three major centers in Reston, Virginia, Denver, Colorado, and Menlo Park, California. The Division has an expertise in a broad spectrum of analytical techniques, and the analytical research is designed to advance the state of the art of existing techniques and to develop new methods of analysis in response to special problems in geochemical analysis. The geochemical research and analytical results are applied to the solution of fundamental geochemical problems relating to the origin of mineral deposits and fossil fuels, as well as to studies relating to the distribution of elements in varied geologic systems, the mechanisms by which they are transported, and their impact on the environment.

Bulletin↗

USGS2015

Effects of simple acid leaching of crushed and powdered geological materials on high-precision Pb isotope analyses

We present new results of simple acid leaching experiments on the Pb isotope composition of USGS standard reference material powders and on ocean island basalt whole rock splits and powders. Rock samples were leached with cold 6 N HCl in an ultrasonic bath, then on a hot plate, and washed with ultrapure H 2 O before sample digestion in HF‐HNO 3 and chromatographic purification of Pb. Lead isotope analyses were measured by Tl‐doped MC‐ICPMS. Intrasession and intersession analytical reproducibilities of repeated analyses of both synthetic Pb solutions and Pb from single digests of chemically processed natural samples were generally better than 100 ppm (2 SD). The comparison of leached and unleached samples shows that leaching consistently removes variable amounts of contaminants that differ in Pb isotopic composition for different starting materials. For repeated digests of a single sample, analyses of leached samples reproduce better than those of unleached ones, confirming that leaching effectively removes most of the heterogeneously distributed extraneous Pb. Nevertheless, the external reproducibility of leached samples is still up to an order of magnitude worse than that of Pb solution standards (∼100 ppm). More complex leaching methods employed by earlier studies yield Pb isotope ratios within error of those produced by our method and at similar levels of reproducibility, demonstrating that our simple leaching method is as effective as more complex leaching techniques. Therefore, any Pb isotope heterogeneity among multiple leached digests of samples in excess of the external reproducibility is attributed to inherent isotopic heterogeneity of the sample. The external precision of ∼100 ppm (2 SD) achieved for Pb isotope ratio determination by Tl‐doped MC‐ICPMS is thus sufficient for most rocks. The full advantage of the most precise Pb isotope analytical methods is only realized in cases where the natural isotopic heterogeneity among samples in a studied suite is substantially below 100 ppm.

Geochemistry, Geophysics, Geosystems↗

USGS2013

Geochemical and mineralogical data for soils of the conterminous United States

In 2007, the U.S. Geological Survey initiated a low-density (1 site per 1,600 square kilometers, 4,857 sites) geochemical and mineralogical survey of soils of the conterminous United States as part of the North American Soil Geochemical Landscapes Project. Sampling and analytical protocols were developed at a workshop in 2003, and pilot studies were conducted from 2004 to 2007 to test and refine these recommended protocols. The final sampling protocol for the national-scale survey included, at each site, a sample from a depth of 0 to 5 centimeters, a composite of the soil A horizon, and a deeper sample from the soil C horizon or, if the top of the C horizon was at a depth greater than 1 meter, from a depth of approximately 80–100 centimeters. The <2-millimeter fraction of each sample was analyzed for a suite of 45 major and trace elements by methods that yield the total or near-total elemental content. The major mineralogical components in the samples from the soil A and C horizons were determined by a quantitative X-ray diffraction method using Rietveld refinement. Sampling in the conterminous United States was completed in 2010, with chemical and mineralogical analyses completed in May 2013. The resulting dataset provides an estimate of the abundance and spatial distribution of chemical elements and minerals in soils of the conterminous United States and represents a baseline for soil geochemistry and mineralogy against which future changes may be recognized and quantified. This report (1) describes the sampling, sample preparation, and analytical methods used; (2) gives details of the quality control protocols used to monitor the quality of chemical and mineralogical analyses over approximately six years; and (3) makes available the soil geochemical and mineralogical data in downloadable tables.

Data Series↗

USGS2023

Back-azimuth estimation of air-to-ground coupled infrasound from transverse coherence minimization

We present the transverse coherence minimization method (TCM)—an approach to estimate the back-azimuth of infrasound signals that are recorded on an infrasound microphone and a colocated three-component seismometer. Accurate back-azimuth information is important for a variety of monitoring efforts, but it is currently only available for infrasound arrays and for seismoacoustic sensor pairs separated by 10 s of meters. Our TCM method allows for the analysis of colocated sensor pairs, sensors located within a few meters of each other, which may extend the capabilities of existing seismoacoustic networks and supplement operating infrasound arrays. This approach minimizes the coherence of the transverse component of seismic displacement with the infrasound wave to estimate the infrasound back-azimuth. After developing an analytical model, we investigate seismoacoustic signals from the August 2012 Humming Roadrunner experiment and the 26 May 2021 eruption of Great Sitkin Volcano, Alaska, U.S.A., at the ranges of 6.5–185 km from the source. We discuss back-azimuth estimates and potential sources of deviation (1°–15°), such as local terrain effects or deviation from common analytical models. This practical method complements existing seismoacoustic tools and may be suitable for routine application to signals of interest.

The Seismic Record↗

USGS1961

Graphic and algebraic solutions of the discordant lead-uranium age problem

Uranium-bearing minerals that give lead-uranium and lead—lead ages that are essentially in agreement, i.e. concordant, generally are considered to have had a relatively simple geologic history and to have been unaltered since their deposition. The concordant ages obtained on such materials are, therefore, assumed to approach closely the actual age of the minerals. Many uranium-bearing samples, particularly uranium ores, give the following discordant age sequences; Pb 206 U 238 < Pb 207 U 235 ⪡ Pb 207 Pb 206 "> Pb 206 U 238 <Pb 207 U 235 ⪡Pb 207 Pb 206 or, less frequently, Pb 207 Pb 206 ⪡ Pb 207 U 235 < Pb 206 U 238 "> Pb 207 Pb 206 ⪡Pb 207 U 235 <Pb 206 U 238 . These discordant age sequences have been attributed most often to uncertainties in the common lead correction, selective loss of radio-active daughter products, loss or gain of lead or uranium, or contamination by an older generation of radiogenic lead. The evaluation of discordant lead isotope age data may be separated into two operations. The first operation, with which this paper is concerned, is mechanical in nature and involves the calculation of the different possible concordant ages corresponding to the various processes assumed to have produced the discordant ages. The second operation is more difficult to define and requires, in part, some personal judgement. It includes a synthesis of the possible concordant age solutions with other independent geologic and isotopic evidence. The concordant age ultimately chosen as most acceptable should be consistent not only with the known events in the geologic history of the area, the age relations of the enclosing rocks, and the mineralogic and paragenetic evidence, but also with other independent age measurements and the isotopic data obtained on the lead in related or associated non-radioactive minerals. The calculation of the possible concordant ages from discordant age data has been greatly simplified by Wetherill's graphical method of plotting the mole ratios of radiogenic Pb 206 U 238 "> Pb 206 U 238 ( N 206 N 238 "> N 206 N 238 ) vs. radiogenic Pb 207 U 235 "> Pb 207 U 235 ( N 207 N 235 "> N 207 N 235 ) after correcting for the contaminating common Pb 206 and Pb 207 . The linear relationships noted in this graphical procedure have been extended to plots of the mole ratios of total Pb 206 U 238 "> Pb 206 U 238 ( t N 206 N 238 "> t N 206 N 238 ) vs. total Pb 207 U 235 "> Pb 207 U 235 ( t N 207 N 235 "> t N 207 N 235 ). This modification permits the calculation of concordant ages for unaltered samples using only the Pb 207 Pb 206 "> Pb 207 Pb 206 ratio of the contaminating common lead. If isotopic data are available for two samples of the same age, x and y , from the same or related deposits or outcrops, graphs of the normalized difference ratios [ ( N 206 N 204 )x − ( N 206 N 204 )y ( N 238 N 204 )x −( N 238 N 204 )y ] vs. [ ( N 207 N 204 )x − ( N 207 N 204 )y ( N 235 N 204 )x −( N 235 N 204 )y ] "> [(N 206 N 204 )x − (N 206 N 204 )y(N 238 N 204 )x −(N 238 N 204 )y] vs. [(N 207 N 204 )x − (N 207 N 204 )y(N 235 N 204 )x −(N 235 N 204 )y] can give concordant ages corrected for unknown amounts of a common lead with an unknown Pb 207 / Pb 206 ratio. (If thorium is absent the difference ratios may be normalized with the more abundant index isotope, Pb 208 .) Similar plots of tho normalized, difference ratios for three genetically related samples ( x − y ) and( x − z ), will give concordant ages corrected, in addition, for either one unknown period of past alteration or initial contamination by an older generation of radiogenic lead of unknown Pb 207 /Pb 206 ratio. Practical numerical solutions for many of tho concordant age calculations are not currently available. However, the algebraic equivalents of these new graphical methods give equations which may be programmed for computing machines. For geologically probable parameters the equations of higher order have two positive real roots that rapidly converge on the exact concordant ages corrected for original radiogenic lead and for loss or gain of lead or uranium. Modifications of these general age equations expanded only to the second degree have been derived for use with desk calculators. These graphical and algebraic methods clearly suggest both the type and minimum number of samples necessary for adequate mathematical analysis of discordant lead isotope age data. This mathematical treatment also makes it clear that discordant lead isotope data alone cannot provide the basis for the choice of one of the possible concordant age solutions. The new equations, in particular, provide an incentive to improve our physical constants, analytical techniques and sampling methods in order that we may derive all of the useful geologic information that is available in a comprehensive lead isotope age study.

Geochimica et Cosmochimica Acta↗

USGS1999

New reporting procedures based on long-term method detection levels and some considerations for interpretations of water-quality data provided by the U.S. Geological Survey National Water Quality Laboratory

This report describes the U.S. Geological Survey National Water Quality Laboratory's approach for determining long-term method detection levels and establishing reporting levels, details relevant new reporting conventions, and provides preliminary guidance on interpreting data reported with the new conventions. At the long-term method detection level concentration, the risk of a false positive detection (analyte reported present at the long-term method detection level when not in sample) is no more than 1 percent. However, at the long-term method detection level, the risk of a false negative occurrence (analyte reported not present when present at the long-term method detection level concentration) is up to 50 percent. Because this false negative rate is too high for use as a default 'less than' reporting level, a more reliable laboratory reporting level is set at twice the determined long-term method detection level. For all methods, concentrations measured between the laboratory reporting level and the long-term method detection level will be reported as estimated concentrations. Non-detections will be censored to the laboratory reporting level. Adoption of the new reporting conventions requires a full understanding of how low-concentration data can be used and interpreted and places responsibility for using and presenting final data with the user rather than with the laboratory. Users must consider that (1) new laboratory reporting levels may differ from previously established minimum reporting levels, (2) long-term method detection levels and laboratory reporting levels may change over time, and (3) estimated concentrations are less certain than concentrations reported above the laboratory reporting level. The availability of uncensored but qualified low-concentration data for interpretation and statistical analysis is a substantial benefit to the user. A decision to censor data after they are reported from the laboratory may still be made by the user, if merited, on the basis of the intended use of the data.

Open-File Report↗

USGS2021

Determination of four arsenic species in environmental water samples by liquid chromatography- inductively coupled plasma - tandem mass spectrometry

Robust and sensitive methods for monitoring inorganic and organic As species As(III), As(V), dimethylarsinate (DMA), and monomethylarsonate (MMA) in environmental water are necessary to understand the toxicity and redox processes of As in a specific environment. The method is sufficiently sensitive and selective to ensure accurate and precise quantitation of As(III), As(V), DMA, and MMA in surface water and groundwater samples with As species concentrations from tens of nanograms per liter to 50 µg/L without dilution of the sample. Mean recoveries of the four species spiked into reagent water, surface water and groundwater and measured periodically over three months ranged from 87.2 % to 108.7 % and relative standard deviation of replicates of all analytes ranged from 1.1 % to 9.0 %. •A PRP-X100 column and nitrate/phosphate mobile phase was used to separate As(III), As(V), DMA, and MMA in 0.45 µm filtered surface water and groundwater matrices. •Oxygen was used in the collision cell of the inductively coupled plasma-mass spectrometer with MS/MS mode to shift the measured As mass from 75 to 91. • The analytical performance of the method and figures of merit including detection limits, precision, accuracy, and interferences when applied to surface water and groundwater matrices were investigated.

MethodsX↗

USGS1994

Historical shoreline mapping (I): improving techniques and reducing positioning errors

A critical need exists among coastal researchers and policy-makers for a precise method to obtain shoreline positions from historical maps and aerial photographs. A number of methods that vary widely in approach and accuracy have been developed to meet this need. None of the existing methods, however, address the entire range of cartographic and photogrammetric techniques required for accurate coastal mapping. Thus, their application to many typical shoreline mapping problems is limited. In addition, no shoreline mapping technique provides an adequate basis for quantifying the many errors inherent in shoreline mapping using maps and air photos. As a result, current assessments of errors in air photo mapping techniques generally (and falsely) assume that errors in shoreline positions are represented by the sum of a series of worst-case assumptions about digitizer operator resolution and ground control accuracy. These assessments also ignore altogether other errors that commonly approach ground distances of 10 m. This paper provides a conceptual and analytical framework for improved methods of extracting geographic data from maps and aerial photographs. We also present a new approach to shoreline mapping using air photos that revises and extends a number of photogrammetric techniques. These techniques include (1) developing spatially and temporally overlapping control networks for large groups of photos; (2) digitizing air photos for use in shoreline mapping; (3) preprocessing digitized photos to remove lens distortion and film deformation effects; (4) simultaneous aerotriangulation of large groups of spatially and temporally overlapping photos; and (5) using a single-ray intersection technique to determine geographic shoreline coordinates and express the horizontal and vertical error associated with a given digitized shoreline. As long as historical maps and air photos are used in studies of shoreline change, there will be a considerable amount of error (on the order of several meters) present in shoreline position and rate-of- change calculations. The techniques presented in this paper, however, provide a means to reduce and quantify these errors so that realistic assessments of the technological noise (as opposed to geological noise) in geographic shoreline positions can be made.

Journal of Coastal Research↗

USGS2018

Comparison of estimators for monitoring long-term population trends in deer mice, Peromyscus maniculatus, on the California Channel Islands

Capture-recapture methods are commonly used to estimate abundance and density of wild animal populations. Although a variety of sophisticated analytical techniques are available to evaluate capture-recapture data, vertebrate monitoring programs often lack the resources (e.g., time, personnel, and/or analytical expertise) to apply these methods. As an alternative, simple population indices, such as counts of unique individuals, may provide sufficient information to detect meaningful changes in population size. In this study we investigated whether a population index, easily generated from mark-recapture data under all conditions, might be used to provide valid ecological information for managers interested in long-term population trends of deer mice ( Peromyscus maniculatus ) on the California Channel Islands. In practice, determining the efficacy of estimating abundance from mark-recapture data and indices using empirical data (as opposed to simulated data) is difficult given the scarcity of long-term data sets that describe real populations. Using mark-recapture data that span 18 years ( n = 122 trapping events, >12,000 marked individuals) for deer mice on 2 of the islands, we compared density estimates obtained from several commonly used mark-recapture models and also compared these estimates to index counts. Populations of island deer mice are extremely dynamic; estimated densities over the data period varied from 0 to >1200 mice/ha. Density estimates from models in program CAPTURE and program DENSITY, as well as from model-averaged Huggins models, were strongly correlated with each other and with the density index. Densities calculated by the models and the index showed similar patterns of population variation and trend over time for all 5 sites. For long-term population monitoring and assessment of population trends in deer mice, our findings suggest that the use of a simple index may provide adequate understanding of ecologically relevant population changes, though data collection methods that allow for more detailed analyses using advanced modeling techniques should be maintained.

California↗

USGS2004

Questa baseline and pre-mining ground-water-quality investigation. 16. Quality assurance and quality control for water analyses

The Questa baseline and pre-mining ground-water quality investigation has the main objective of inferring the ground-water chemistry at an active mine site. Hence, existing ground-water chemistry and its quality assurance and quality control is of crucial importance to this study and a substantial effort was spent on this activity. Analyses of seventy-two blanks demonstrated that contamination from processing, handling, and analyses were minimal. Blanks collected using water deionized with anion and cation exchange resins contained elevated concentrations of boron (0.17 milligrams per liter (mg/L)) and silica (3.90 mg/L), whereas double-distilled water did not. Boron and silica were not completely retained by the resins because they can exist as uncharged species in water. Chloride was detected in ten blanks, the highest being 3.9 mg/L, probably as the result of washing bottles, filter apparatuses, and tubing with hydrochloric acid. Sulfate was detected in seven blanks; the highest value was 3.0 mg/L, most likely because of carryover from the high sulfate waters sampled. With only a few exceptions, the remaining blank analyses were near or below method detection limits. Analyses of standard reference water samples by cold-vapor atomic fluorescence spectrometry, ion chromatography, inductively coupled plasma-optical emission spectrometry, inductively coupled plasma-mass spectrometry, FerroZine, graphite furnace atomic absorption spectrometry, hydride generation atomic spectrometry, and titration provided an accuracy check. For constituents greater than 10 times the detection limit, 95 percent of the samples had a percent error of less than 8.5. For constituents within 10 percent of the detection limit, the percent error often increased as a result of measurement imprecision. Charge imbalance was calculated using WATEQ4F and 251 out of 257 samples had a charge imbalance less than 11.8 percent. The charge imbalance for all samples ranged from -16 to 16 percent. Spike recoveries were performed by spiking ground-water samples from SC2B, SC3A, SC3B, CC2A, and Hottentot with a mixed-element standard and then analyzing them by ICP-OES. The mean recovery for all the constituents by ICP-OES was 103 percent with a standard deviation of 16 percent. Fifteen surface- and ground-water sequential duplicates were collected from Straight Creek, Hottentot, and the Red River from 2002 to 2003. Except for chloride from well SC5B and low concentrations of iron (<0.05 mg/L) and aluminum (<0.01 mg/L), constituents of sequential duplicates are generally within 10 percent of each other. Analytical results from different methods and different laboratories, with rare exceptions, were within 10 percent. Chromium analyses were in poor agreement when comparing analyses from the USGS and a contract laboratory, but USGS analyses by ICP-OES and ICP-MS were usually within 10 percent for chromium concentrations above 0.03 mg/L and analyses by ICP-OES and GFAAS were usually within 15 percent for chromium concentrations as much as 0.1 mg/L. Filtration studies also were performed to study the effects of filtration apparatuses (Minitan, plate, capsule, and syringe), pore sizes, and timing on dissolved metal concentrations. Except for iron and aluminum, constituents with concentrations greater than about 0.05 mg/L were generally not affected by the filtration apparatus, membrane pore-size, and filtration delays. Iron, aluminum, and some dissolved metals concentrations less than about 0.05 mg/L, especially copper, were generally lowest in filtrates from the tangential flow Minitan system containing a filter membrane with a pore size of 10,000 Daltons. As part of a filtration timing study, grab samples were collected from two sites along the Red River and were processed immediately and then again 1 to 3 hours later. Aluminum and iron colloids formed during the delay in the sample collected at the USGS gaging station and, after the delay, 0.1-ìm filtrate aluminum and iron concentrations approached the ultrafiltrate (Minitan) concentrations. In the upstream site below Fawn Lakes, aluminum in the 0.1-ìm filtrate decreased but did not decrease in the 0.45-ìm filtrate, signifying that the colloids formed during the delay are between 0.1 and 0.45 ìm. Dissolved nickel and pH also decreased in both samples during the delay. Except for ferrous iron and barium, a sequential filtration study 2 demonstrated that water collected from the Red River at the gage did not affect dissolved metal concentrations with increasing sample volume passing through a plate filter with 0.45- or 0.1-ìm membranes. Barium and ferrous iron both slightly decreased in the filtrate from the 0.45-ìm filter.

Open-File Report↗

USGS1982

Recommended procedures and techniques for the petrographic description of bituminous coals

Modern coal petrology requires rapid and precise description of great numbers of coal core or bench samples in order to acquire the information required to understand and predict vertical and lateral variation of coal quality for correlation with coal-bed thickness, depositional environment, suitability for technological uses, etc. Procedures for coal description vary in accordance with the objectives of the description. To achieve our aim of acquiring the maximum amount of quantitative information within the shortest period of time, we have adopted a combined megascopic-microscopic procedure. Megascopic analysis is used to identify the distinctive lithologies present, and microscopic analysis is required only to describe representative examples of the mixed lithologies observed. This procedure greatly decreases the number of microscopic analyses needed for adequate description of a sample. For quantitative megascopic description of coal microlithotypes, microlithotype assemblages, and lithotypes, we use (V) for vitrite or vitrain, (E) for liptite, (I) for inertite or fusain, (M) for mineral layers or lenses other than iron sulfide, (S) for iron sulfide, and (X 1 ), (X 2 ), etc. for mixed lithologies. Microscopic description is expressed in terms of V representing the vitrinite maceral group, E the exinite group, I the inertinite group, and M mineral components. volume percentages are expressed as subscripts. Thus (V) 20 (V 80 E 10 I 5 M 5 ) 80 indicates a lithotype or assemblage of microlithotypes consisting of 20 vol. % vitrite and 80% of a mixed lithology having a modal maceral composition V 80 E 10 I 5 M 5 . This bulk composition can alternatively be recalculated and described as V 84 E 8 I 4 M 4 . To generate these quantitative data rapidly and accurately, we utilize an automated image analysis system (AIAS). Plots of VEIM data on easily constructed ternary diagrams provide readily comprehended illustrations of the range of modal composition of the lithologic units making up a given coal bed. The use of bulk-specific-gravity determinations is alo recommended for identification and characterization of the distinctive lithologic units. The availability of an AIAS also enhances the capability to acquire textural information. Ranges of size of maceral and mineral grains can be quickly and precisely determined by use of an AIAS. We assume that shape characteristics of coal particles can also be readily evaluated by automated image analysis, although this evaluation has not yet been attempted in our laboratory. Definitive data on the particulate mineral content of coal constitute another important segment of petrographic description. Characterization of mineral content may be accomplished by optical identification, electron microprobe analysis, X-ray diffraction, and scanning and transmission electron microscopy. Individual mineral grains in place in polished blocks or polished this sections, or separated from the coal matrix by sink-float methods are studied by analytical techniques appropriate to the conditions of sampling.

International Journal of Coal Geology↗

USGS2006

Bias and uncertainty in regression-calibrated models of groundwater flow in heterogeneous media

Groundwater models need to account for detailed but generally unknown spatial variability (heterogeneity) of the hydrogeologic model inputs. To address this problem we replace the large, m-dimensional stochastic vector ?? that reflects both small and large scales of heterogeneity in the inputs by a lumped or smoothed m-dimensional approximation ????*, where ?? is an interpolation matrix and ??* is a stochastic vector of parameters. Vector ??* has small enough dimension to allow its estimation with the available data. The consequence of the replacement is that model function f(????*) written in terms of the approximate inputs is in error with respect to the same model function written in terms of ??, ??,f(??), which is assumed to be nearly exact. The difference f(??) - f(????*), termed model error, is spatially correlated, generates prediction biases, and causes standard confidence and prediction intervals to be too small. Model error is accounted for in the weighted nonlinear regression methodology developed to estimate ??* and assess model uncertainties by incorporating the second-moment matrix of the model errors into the weight matrix. Techniques developed by statisticians to analyze classical nonlinear regression methods are extended to analyze the revised method. The analysis develops analytical expressions for bias terms reflecting the interaction of model nonlinearity and model error, for correction factors needed to adjust the sizes of confidence and prediction intervals for this interaction, and for correction factors needed to adjust the sizes of confidence and prediction intervals for possible use of a diagonal weight matrix in place of the correct one. If terms expressing the degree of intrinsic nonlinearity for f(??) and f(????*) are small, then most of the biases are small and the correction factors are reduced in magnitude. Biases, correction factors, and confidence and prediction intervals were obtained for a test problem for which model error is large to test robustness of the methodology. Numerical results conform with the theoretical analysis. ?? 2005 Elsevier Ltd. All rights reserved.

Advances in Water Resources↗

USGS2010

Mineralogical and chemical characteristics of some natural jarosites

This paper presents a detailed study of the mineralogical, microscopic, thermal, and spectral characteristics of jarosite and natrojarosite minerals. Systematic mineralogic and chemical examination of a suite of 32 natural stoichiometric jarosite and natrojarosite samples from diverse supergene and hydrothermal environments indicates that there is only limited solid solution between Na and K at low temperatures, which suggests the presence of a solvus in the jarosite-natrojarosite system at temperatures below about 140 C. The samples examined in this study consist of either end members or coexisting end-member pairs of jarosite and natrojarosite. Quantitative electron-probe microanalysis data for several natural hydrothermal samples show only end-member compositions for individual grains or zones, and no detectable alkali-site deficiencies, which indicates that there is no hydronium substitution within the analytical uncertainty of the method. In addition, there is no evidence of Fe deficiencies in the natural hydrothermal samples. Hydronium-bearing jarosite was detected in only one relatively young supergene sample suggesting that terrestrial hydronium-bearing jarosites generally are unstable over geologic timescales. Unit-cell parameters of the 20 natural stoichiometric jarosites and 12 natural stoichiometric natrojarosites examined in this study have distinct and narrow ranges in the a- and c-cell dimensions. There is no overlap of these parameters at the 1r level for the two end-member compositions. Several hydrothermal samples consist of fine-scale (2–10 lm) intimate intergrowths of jarosite and natrojarosite, which could have resulted from solid-state diffusion segregation or growth zoning due to variations in the Na/K activity ratio of hydrothermal solutions.

Geochimica et Cosmochimica Acta↗

USGS2013

Pre-flight calibration and initial data processing for the ChemCam laser-induced breakdown spectroscopy instrument on the Mars Science Laboratory rover

The ChemCam instrument package on the Mars Science Laboratory rover, Curiosity, is the first planetary science instrument to employ laser-induced breakdown spectroscopy (LIBS) to determine the compositions of geological samples on another planet. Pre-processing of the spectra involves subtracting the ambient light background, removing noise, removing the electron continuum, calibrating for the wavelength, correcting for the variable distance to the target, and applying a wavelength-dependent correction for the instrument response. Further processing of the data uses multivariate and univariate comparisons with a LIBS spectral library developed prior to launch as well as comparisons with several on-board standards post-landing. The level-2 data products include semi-quantitative abundances derived from partial least squares regression. A LIBS spectral library was developed using 69 rock standards in the form of pressed powder disks, glasses, and ceramics to minimize heterogeneity on the scale of the observation (350–550 μm dia.). The standards covered typical compositional ranges of igneous materials and also included sulfates, carbonates, and phyllosilicates. The provenance and elemental and mineralogical compositions of these standards are described. Spectral characteristics of this data set are presented, including the size distribution and integrated irradiances of the plasmas, and a proxy for plasma temperature as a function of distance from the instrument. Two laboratory-based clones of ChemCam reside in Los Alamos and Toulouse for the purpose of adding new spectra to the database as the need arises. Sensitivity to differences in wavelength correlation to spectral channels and spectral resolution has been investigated, indicating that spectral registration needs to be within half a pixel and resolution needs to match within 1.5 to 2.6 pixels. Absolute errors are tabulated for derived compositions of each major element in each standard using PLS regression. Sources of errors are investigated and discussed, and methods for improving the analytical accuracy of compositions derived from ChemCam spectra are discussed.

Spectrochimica Acta Part B: Atomic Spectroscopy↗

USGS2022

Dissolved organic matter within oil and gas associated wastewaters from U.S. unconventional petroleum plays: Comparisons and consequences for disposal and reuse

Wastewater generated during petroleum extraction (produced water) may contain high concentrations of dissolved organics due to their intimate association with organic-rich source rocks, expelled petroleum, and organic additives to fluids used for hydraulic fracturing of unconventional (e.g., shale) reservoirs. Dissolved organic matter (DOM) within produced water represents a challenge for treatment prior to beneficial reuse. High salinities characteristic of produced water, often 10× greater than seawater, coupled to the complex DOM ensemble create analytical obstacles with typical methods. Excitation-emission matrix spectroscopy (EEMS) can rapidly characterize the fluorescent component of DOM with little impact from matrix effects. We applied EEMS to evaluate DOM composition in 18 produced water samples from six North American unconventional petroleum plays. Represented reservoirs include the Eagle Ford Shale (Gulf Coast Basin), Wolfcamp/Cline Shales (Permian Basin), Marcellus Shale and Utica/Point Pleasant (Appalachian Basin), Niobrara Chalk (Denver-Julesburg Basin), and the Bakken Formation (Williston Basin). Results indicate that the relative chromophoric DOM composition in unconventional produced water may distinguish different lithologies, thermal maturity of resource types (e.g., heavy oil vs. dry gas), and fracturing fluid compositions, but is generally insensitive to salinity and DOM concentration. These results are discussed with perspective toward DOM influence on geochemical processes and the potential for targeted organic compound treatment for the reuse of produced water.

Colorado, Montana, Nebraska, New York, North Dakot↗

USGS2011

Pseudospectral modeling and dispersion analysis of Rayleigh waves in viscoelastic media

Multichannel Analysis of Surface Waves (MASW) is one of the most widely used techniques in environmental and engineering geophysics to determine shear-wave velocities and dynamic properties, which is based on the elastic layered system theory. Wave propagation in the Earth, however, has been recognized as viscoelastic and the propagation of Rayleigh waves presents substantial differences in viscoelastic media as compared with elastic media. Therefore, it is necessary to carry out numerical simulation and dispersion analysis of Rayleigh waves in viscoelastic media to better understand Rayleigh-wave behaviors in the real world. We apply a pseudospectral method to the calculation of the spatial derivatives using a Chebyshev difference operator in the vertical direction and a Fourier difference operator in the horizontal direction based on the velocity-stress elastodynamic equations and relations of linear viscoelastic solids. This approach stretches the spatial discrete grid to have a minimum grid size near the free surface so that high accuracy and resolution are achieved at the free surface, which allows an effective incorporation of the free surface boundary conditions since the Chebyshev method is nonperiodic. We first use an elastic homogeneous half-space model to demonstrate the accuracy of the pseudospectral method comparing with the analytical solution, and verify the correctness of the numerical modeling results for a viscoelastic half-space comparing the phase velocities of Rayleigh wave between the theoretical values and the dispersive image generated by high-resolution linear Radon transform. We then simulate three types of two-layer models to analyze dispersive-energy characteristics for near-surface applications. Results demonstrate that the phase velocity of Rayleigh waves in viscoelastic media is relatively higher than in elastic media and the fundamental mode increases by 10-16% when the frequency is above 10. Hz due to the velocity dispersion of P and S waves. ?? 2011 Elsevier Ltd.

Soil Dynamics and Earthquake Engineering↗

USGS2014

A graphic procedure in the geochemical interpretation of water‐analyses

This paper outlines certain fundamental principles in a graphic procedure which appears to be an effective tool in segregating analytical data for critical study with respect to sources of the dissolved constituents in waters, modifications in the character of a water as it passes through an area, and related geochemical problems. The procedure is based on a multiple‐trilinear diagram (Fig. 1) whose form has been evolved gradually and independently by the writer during the past several years through trial and modification of less comprehensive antecedent forms. Neither the diagram nor the procedure here described is a panacea for the easy solution of all geochemical problems. Many problems of interpretation can be answered only by intensive study of critical analytical data by other methods.

Eos, Transactions, American Geophysical Union↗