ASTM D5877-95(2005)
(Guide)Standard Guide for Displaying Results of Chemical Analyses of Groundwater for Major Ions and Trace ElementsDiagrams Based on Data Analytical Calculations (Withdrawn 2014)
Standard Guide for Displaying Results of Chemical Analyses of Groundwater for Major Ions and Trace Elements<char: emdash>Diagrams Based on Data Analytical Calculations (Withdrawn 2014)
SIGNIFICANCE AND USE
Each year, many thousands of water samples are collected, and the chemical components are determined from natural and human-influenced groundwater sources.
An understanding of the relationship between the similarities and differences of these water analyses is simplified by use of data analytical methods and the display of the results of these methods as pictorial diagrams.
This guide presents a compilation of the diagrams used for illustrating the results of these methods.
This type of diagram summarizes data from a number of analyses to allow for an objective comparison between the chemical and related parameters.
The diagrams based on data analytical calculations described in this guide display the following; time and areal trends; maximums, minimums, and means; relationships between chemical and associated parameters; significant outliers; distributions; and a summary of a number of data parameters.
The objective interpretations of the origin, composition, and interrelationships of groundwater are common uses of the diagrams based on data analytical calculations.
The origin of the water may be postulated by the amount and the relationship of the chemical constituents in a sample of water analyses summarized on the diagrams.
The chemical composition of the water can be scrutinized for distinct characteristics and anomalies by use of the diagrams.
A graphical comparison of distinct data sets of chemical analyses allows the investigator to evaluate the interrelationships of the groundwater from separate locations.
This is not a guide for the selection of a diagram for a distinct purpose. That choice is program or project specific.
Note 5—For many hydrochemical research problems involving the scientific interpretation of groundwater, the ′analytical water-analysis diagram' is only one segment of several methods needed to interpret the data.
SCOPE
1.1 This guide covers methods that graphically display chemical analyses of multiple groundwater samples, discrete values and also those reduced to comprehensive summaries or parameters. Details required by the investigator to fully use the methods are found in the listed references. The methods included in this guide are many of the graphical procedures that were not discussed in two previous guides, Guides D5738 and D5754.
Note 1—The graphic methods in this guide apply to both raw and transformed data, for example, unaltered medians, maximums, and minimums and transformed means, square-roots, frequency distributions, and so forth. The methods are often computational intensive, requiring the use of a digital computer. Some graphical methods illustrate the results of the statistical analysis of a sample data set. For example, box plots are graphical portrayals of the maximum, minimum, median, 25th percentile, and 75th percentile of one variable, such as the chloride ion from a group of chemical analyses.
Besides chemical components, other variables that may be plotted to show an interdependence with water chemistry include time, distance, and temperature.
1.2 This guide on diagrams based on data analytical calculations is the third of several documents to inform the hydrologists and geochemists about traditional graphical methods for displaying groundwater chemical data.
Note 2—The initial guide described the category of water-analysis diagrams that use two-dimensional trilinear graphs to display, on a single diagram, the common chemical components from two or more analyses of natural groundwater.
1.2.1 The second guide described the category of water-analysis diagrams that use pattern and pictorial methods as a basis for displaying each of the individual chemical components determined from the analysis of a single sample of natural groundwater.
1.3 This guide presents a compilation of diagrams that allows for transformation of numerical data into visual, usable forms. It is not a guide to selection or use. Tha...
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Standards Content (Sample)
NOTICE: This standard has either been superseded and replaced by a new version or withdrawn.
Contact ASTM International (www.astm.org) for the latest information
Designation: D5877 − 95(Reapproved 2005)
Standard Guide for
Displaying Results of Chemical Analyses of Groundwater
for Major Ions and Trace Elements—Diagrams Based on
Data Analytical Calculations
This standard is issued under the fixed designation D5877; the number immediately following the designation indicates the year of
original adoption or, in the case of revision, the year of last revision.Anumber in parentheses indicates the year of last reapproval.A
superscript epsilon (´) indicates an editorial change since the last revision or reapproval.
1. Scope 1.3 This guide presents a compilation of diagrams that
allows for transformation of numerical data into visual, usable
1.1 This guide covers methods that graphically display
forms. It is not a guide to selection or use. That choice is
chemical analyses of multiple groundwater samples, discrete
program or project specific.
values and also those reduced to comprehensive summaries or
parameters.Detailsrequiredbytheinvestigatortofullyusethe 1.4 Many graphic techniques have been developed by in-
methods are found in the listed references. The methods vestigators to illustrate the results of the data analytical
includedinthisguidearemanyofthegraphicalproceduresthat computations to assist in summarizing and interpreting related
were not discussed in two previous guides, Guides D5738 and data sets. In this guide, selected graphical methods are illus-
D5754. trated using groundwater chemistry data.
1.5 The basic or original format of each of the graphical
NOTE 1—The graphic methods in this guide apply to both raw and
transformed data, for example, unaltered medians, maximums, and
techniques given in this guide has been modified in several
minimums and transformed means, square-roots, frequency distributions,
ways, largely depending upon the data analytical techniques
andsoforth.Themethodsareoftencomputationalintensive,requiringthe
used by the investigators. Several minor modifications are
use of a digital computer. Some graphical methods illustrate the results of
mentioned, some significant revisions are discussed in more
the statistical analysis of a sample data set. For example, box plots are
graphical portrayals of the maximum, minimum, median, 25th percentile, detail.
and 75th percentile of one variable, such as the chloride ion from a group
1.6 Notationshavebeenincorporatedwithinmanydiagrams
of chemical analyses.
illustrated in this guide to assist the reader in understanding
Besides chemical components, other variables that may be plotted to
showaninterdependencewithwaterchemistryincludetime,distance,and how the diagrams are constructed. These notations would not
temperature.
be required on a diagram designed for inclusion in a project
document.
1.2 This guide on diagrams based on data analytical calcu-
lationsisthethirdofseveraldocumentstoinformthehydrolo-
NOTE 3—Use of trade names in this guide is for identification purposes
gists and geochemists about traditional graphical methods for
only and does not constitute endorsement by ASTM.
displaying groundwater chemical data.
1.7 This standard does not purport to address all of the
NOTE 2—The initial guide described the category of water-analysis safety concerns, if any, associated with its use. It is the
diagrams that use two-dimensional trilinear graphs to display, on a single
responsibility of the user of this standard to establish appro-
diagram,thecommonchemicalcomponentsfromtwoormoreanalysesof
priate safety and health practices and determine the applica-
natural groundwater.
bility of regulatory limitations prior to use.
1.2.1 The second guide described the category of water-
1.8 This guide offers an organized collection of information
analysis diagrams that use pattern and pictorial methods as a
or a series of options and does not recommend a specific
basis for displaying each of the individual chemical compo-
course of action. This document cannot replace education or
nents determined from the analysis of a single sample of
experienceandshouldbeusedinconjunctionwithprofessional
natural groundwater.
judgment.Notallaspectsofthisguidemaybeapplicableinall
circumstances. This ASTM standard is not intended to repre-
sent or replace the standard of care by which the adequacy of
a given professional service must be judged, nor should this
This guide is under the jurisdiction of ASTM Committee D18 on Soil and
Rockand is the direct responsibility of Subcommittee D18.21 on Groundwater and
documentbeappliedwithoutconsiderationofaproject’smany
Vadose Zone Investigations.
unique aspects. The word “Standard” in the title of this
Current edition approved Nov. 1, 2005. Published December 2005. Originally
document means only that the document has been approved
approved in 1995. Last previous edition approved in 2000 as D5877–95 (2000).
DOI: 10.1520/D5877-95R05. through the ASTM consensus process.
Copyright © ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959. United States
D5877 − 95 (2005)
2. Referenced Documents valencesolutecomponent
~ !
~equivalentweightfactor! 5 (1)
2 ~formulaweightsolutecomponent!
2.1 ASTM Standards:
D596Guide for Reporting Results of Analysis of Water
Then to determine the equivalent weight (meq/L) of the
D653Terminology Relating to Soil, Rock, and Contained
solute component, multiply the mg/L value of the solute
Fluids
component times the equivalent weight factor, as follows;
D1129Terminology Relating to Water
~meq/L solutecomponent! 5 ~mg/L solutecomponent! (2)
D5738GuideforDisplayingtheResultsofChemicalAnaly-
ses of Groundwater for Major Ions and Trace Elements—
3~equivalentweightfactor!
Diagrams for Single Analyses
2+
For example, the formula weight of Ca is 40.10 and the
D5754GuideforDisplayingtheResultsofChemicalAnaly-
ionic charge is 2 (as shown by the 2+), and for a value of 20
ses of Groundwater for Major Ions and Trace Elements—
mg/LCa,theequivalentweightvalueiscomputedtobe0.9975
Trilinear Diagrams for Two or More Analyses
meq/L:
3. Terminology
~ !
~0.9975meq/LCa! 5 ~20mg/LCa! 3 (3)
~40.10!
3.1 Definitions:
3.1.6.1 Discussion—Many general geochemistry publica-
3.1.1 Except as listed as follows, all definitions are in
tions and water encyclopedias have a complete table of`
accordance with Terminology D653:
equivalent weight factors’ for the ions found in natural
3.1.2 adjacent values (statistics)—values that fall between
groundwater (3, 4).
the quartile and one step beyond the quartile position, where
the interquartile range is from the 25th to 75th percentile of a
3.1.7 far-out values (statistics)—values that fall beyond the
sample, and a step is equal to 1.5 times the interquartile range
two-step range (see outside values) (1, 2).
(1). The same definition applies to hinges (2).
3.1.8 hinge(statistics)—asusedbyTukey (2),theupperand
3.1.3 anion—an ion that moves or would move toward an
lower values of a ranked sample that, along with the median,
anode; thus nearly always synonymous with negative ion.
dividethenumberofdatavaluesintofourequalparts.Thedata
at the hinge position includes interpolated values.
3.1.4 cation—an ion that moves or would move toward a
3.1.8.1 Discussion—Tukey (2)usedthehingesystemforhis
cathode; thus nearly always synonymous with positive ion.
box and whisker plots and for his hinge plot and related
3.1.5 equivalent per million (epm)—for water chemistry, an
summaries. The hinge method of division is similar to the use
equivalent weight unit expressed in English terms, also ex-
of quartiles.
pressed as milligram-equivalent per kilogram. When the con-
3.1.9 interquartile or hinge range (statistics)— the differ-
centration of an ion, expressed in ppm, is multiplied by the
ence between the values at the quartile or hinge extremes (2).
equivalent weight (combining weight) factor (see explanation
of equivalent weight factor) of that ion, the result is expressed 3.1.10 maximum or sample maximum (statistics)— the
in epm. value of the variable having the greatest value in a data set
3.1.5.1 Discussion—For a completely determined chemical (sample).
analysis of a water sample, the total epm value of the cations
3.1.11 milliequivalent per litre (meq/L)—for water chemis-
will equal the total epm value of the anions (chemically
try, an equivalent weight unit expressed in metric terms, also
balanced). The plotted values on the water-analysis diagrams
expressed as milligram-equivalent per litre. When the concen-
described in this guide can be expressed in percentages of the
tration of an ion, expressed in mg/L, is multiplied by the
total epm (although all illustrations are in milliequivalent per
equivalent weight factor (see explanation of equivalent weight
litre) of the cations and anions of each water analysis.
factor) of that ion, the result is expressed in meq/L.
Therefore, to use the diagrams, analyses must be converted
3.1.11.1 Discussion—For a completely determined chemi-
from ppm to epm by multiplying each ion by its equivalent
cal analysis of a water sample, the total value of the cations
weight factor and determining the percent of each ion of the
will equal the total value of the anions (chemically balanced).
total cation or anion.
Theplottedvaluesonthewater-analysisdiagramsdescribedin
3.1.6 equivalentweightfactor—theequivalentweightfactor this guide are expressed in percentages of the total meq/L of
thecationsandanionsofeachwateranalysis.Therefore,touse
orcombiningweightfactor,alsocalledthereactioncoefficient,
is used for converting chemical constituents expressed in ppm the diagrams, analyses must be converted from mg/Lto meq/L
by multiplying each ion by its equivalent weight factor and
toepmandmg/Ltomeq/L(seeexplanationofepmandmeq/L).
determiningthepercentofeachionofthetotalcationoranion.
To determine the equivalent weight factor, divide the formula
weight of the solute component into the valence of the solute
3.1.12 milligrams per kilogram (mg/kg)—for water chemis-
component:
try, a weight-per-weight unit expressed in metric terms. The
numberofmilligramsofsolute(forexample,Na)perkilogram
2 of solution (water). For example, a 10000-mg/kg solute is the
For referenced ASTM standards, visit the ASTM website, www.astm.org, or
same as 1% solute in the total 100% solution. The mg/kg unit
contact ASTM Customer Service at service@astm.org. For Annual Book of ASTM
Standards volume information, refer to the standard’s Document Summary page on
is equivalent to ppm according to Matthess (5).
the ASTM website.
3.1.13 milligrams per litre (mg/L)—for water chemistry, a
The boldface numbers given in parentheses refer to a list of references at the
end of the text. weight-per-volume unit expressed in metric terms. The weight
D5877 − 95 (2005)
−3
in milligrams (10 g) of the solute within the volume (litre) into this category).These may be the most important values in
solution. The weight can be also expressed in micrograms the data set and should be investigated further (1). In the case
−6
(10 g).Theuseofthemg/Lunitistheworldwidestandardfor of a single deletion, the relationship between the change in
the analysis and reporting of water chemistry. mean and the deleted observation is linear, whereas, the
3.1.13.1 Discussion—The ppm and mg/L values of the relationship between the change in standard deviation and the
constituents in natural groundwater are nearly equal (within deletedobservationisnonlinearorapproximatelyquadraticfor
anticipated analytical errors) until the concentration of the the total number of sample observations considerably larger
dissolved solids reaches about 7000 mg/L. For highly miner- than the standardization variable squared (7). Values as de-
alized waters, a density correction should be used when scribed by Sara (8) as unusually high, low, or otherwise
computing ppm from mg/L (3). unexpected values within the sample.
3.1.16.1 Discussion—Outliers (8) can be attributed to a
3.1.14 minimum or sample minimum (statistics)—the value
number of conditions, including: extreme, but accurately
ofthevariablehavingthesmallestvalueinadataset(sample).
detected, conditions or environmental conditions; sampling
3.1.15 natural groundwater—is water positioned under the
errors or field contamination; analytical errors or laboratory
land’s surface, which consists of the basic elements, hydrogen
contamination; recording or transcription errors; and faulty
and oxygen (H O), and numerous major dissolved chemical
(water) sample preparation or preservation, or shelf-life excee-
constituents, such as calcium (Ca), magnesium (Mg), sodium
dance.
(Na), potassium (K), carbonate (CO ), bicarbonate (HCO ),
3 3
3.1.17 outside values (statistics)—values that fall between
chloride (Cl), and sulfate (SO ).
one and two steps beyond the interquartile range (see adjacent
3.1.15.1 Discussion—Other major constituents, in special
values) (1, 2).
cases, can include aluminum (Al), boron (B), fluoride (F), iron
(Fe), nitrate (NO ), and phosphorus (PO ). Minor and trace
3.1.18 parts per million (ppm)—for water chemistry, a
3 4
elements that can occur in natural groundwater vary widely,
dimensionless ratio of unit-of-measurement per unit-of-
but can include arsenic (As), copper (Cu), lead (Pb), mercury
measurement expressed in English terms. One part per million
(Hg), radium (Ra), and zinc (Zn). In addition, natural ground-
is equivalent to one milligram of solute in one kilogram of
water may contain dissolved gases, such as hydrogen sulfide
solution. For example, if the total weight of the solution (one
(H S), carbon dioxide (CO ), oxygen (O ), methane (CH ),
millionppm)has99%solventand1%solute,thisisthesame
2 2 2 4
ammonia(NH ),argon(Ar),helium(He),andradon(Rn).Also as 990000 ppm solvent and 10000 ppm solute in the one
maybe included are neutrally charged mineral species, such as
million parts of solution.
silicate (SiO ), naturally occurring organics, such as tannic
3.1.19 polar smoothing (statistics)—this type of smooth, as
acids, colloidal materials, and particulates, such as bacteria
used on a scatterplot or Piper diagram, improves the visualiza-
viruses and naturally charged pollen spores.
tionofmultiplegroupsofdatasetsbyenclosingafixedpercent
3.1.15.2 Discussion—Most of the natural groundwater is a
(50 or 75%) of each group with a mathematically determined
part of the hydrologic cycle, that is the constant circulation of
ellipse (1, 9, 10, 11, 12, 13).
meteoric water as vapor in the atmosphere as a result of
3.1.20 population (statistics)—a well-defined set (either fi-
evaporation from the earth’s surface (land and ocean), liquid
nite or infinite) of elements (14).
andsolid(ice)onandunderthelandasaresultofprecipitation
3.1.20.1 Discussion—For groundwater quality data the infi-
from the
...
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