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AquaChem

Detailed Description

AquaChem

AquaChem




What's New in AquaChem 5.1!

We are pleased to announce the release of AquaChem version 5.1. AquaChem, the leading software package designed for managing, analyzing and plotting water quality data is now enhanced with a multitude of upgraded features including integrated tools and enhanced functionality to save you time when working with vast amounts of water data. Download a trial version of AquaChem today and see how easy it is to develop professional reports of your sample data.

Analysis Plots - NEW!

 
  • Define a time series for any other defined legend item, such as an aquifer
  • Edit triangle endpoints in Piper, Durov and Ternary plots
  • Enhanced functionality in Box & Whisker and Time Series plots including the ability to create horizontal lines for convenient comparison to water quality standards
  • Automatically generate symbols for all alphanumeric fields
  • Load multiple plot configurations into existing plots
  • Place plots on multiple pages on demand
  • Layout and plot arrangement can now be saved to a template for future use
  • New probability plot determines irregularities within the data when plotting quantiles of a data against the quantiles of the normal distribution





Reports - NEW!

 
  • Reliability check now contains Unit for each formula
  • Copy or print trend results
  • Enhanced Mann Kendall trend analysis, and summary statistics


Database - NEW!

 
  • Supports a comma as a decimal separator
  • Import data from MS Access® tables or views
  • Export water quality standards for quick referencing
  • Easily define, import or export parameter information from text files
  • Conveniently search for stations and samples that are located at a specified distance
  • Quickly open text fields that include file names or URLs
  • Enhanced customization for sample detail screen, including ability to select data to be displayed with water standards, or show/hide any meta data field in the measured values tab
  • Create meta data fields for measured fields, including filtered or unfiltered constituents, as well as practical quantification limits
  • Now choose between long and short water facies names (including all ions >10%) and short facies names (including only dominant anions and cations). The short name allows for Na-Cl, Ca-HCO3 etc. and can be used for creating a water facies legend and subsequent plotting
  • Automatically create lookup lists for text fields

Calculators - NEW!

 
  • Built-in tools such as the Langelier index, Ryznar Stability index, Pukorius, and Larson-Skold for predicting corrosive or scaling tendencies
  • Calculate oxygen solubility as a function of elevation and temperature
  • Convert mg/l into mmol/l, activity, and ppm with upgraded formula weight calculator



PHREEQC - NEW!

 
  • Conveniently generate PHT3D input for Visual MODFLOW
  • Additional parameters have been mapped between AquaChem and PHREEQC
  • PHREEQC thermodynamic database is added to the PHREEQC screen for lookup purpose
  • Support for PHREEQC v.2.0.12 including the Pitzer equations for calculations in high saline solutions
  • PHREEQC simulated data for master species can be read back to the database
  • New modeling feature: "Equilibrate with minerals" which allows the evaporation of a solution while staying in equilibrium with one or several minerals. The output includes the chemistry of the remaining sample as well as the amount of minerals that was precipitated or dissolved.

Now compatible with VISUAL MODFLOW!





Statistics - NEW!

 
  • Mann-Kendall statistics are now included in the summary statistics and may be calculated for multiple parameters at once
  • Includes robust Spearman’s Rank Correlation Coefficient: a non-parametric measure of the strength of the association between two variables
  • Most statistical values and water standards can now be included in header or footer of reports in spreadsheet formats
  • Create bivariate scatter diagrams in the Interactive Correlation matrix for evaluating correlation results that might be influenced by outliers







What's New in AquaChem 5.0!

Plots & Mapping

  • Streamlined plot options make editing axes, titles, legends easier
    Axes tick labels may be angled
  • Map plots - data aggregation for multiple samples at same station: select various aggregation options: oldest sample, newest sample, max/min value, etc.)
  • Import polyline shape files (ESRI .SHP) as your basemaps
    Import and georeference raster images (air photos or topographic maps) for use as your project base map - and overlay various plots!
  • Map plot may contain multiple basemaps, basemaps are activated and deactivated with a checkbox
  • Export Stiff and Radial thematic plots to .SHP file format for use with GIS tools such as HydroGeo Analyst
  • Color fill options for Box plot
  • Display uncertainty bars (whiskers) on XY scatter plots, such as time series, scatter plots
  • Display lines for max tolerance concentrations or method detection limit (MDL) on time series plots - lines can also be included in the legend!
  • Advanced symbol labeling options: position labels anywhere on the plot and use connecting lines and user-defined text (annotation) to identify samples
  • Use measured Alkalinity in Piper diagrams, instead of HCO3



New Plots

  • Box and Whisker time series plot (show boxes for samples from the same month, year or season)
  • Meteoric Water Line
  • Quantile plot
  • Detection Summary
  • Time Series - bar charts: displays statistics values for months or years in bar format

Reports & Statistics

 
Statistics report supports multiple units allowing the user to select and calculate several parameter units simultaneously
New options for managing non-detects (censored) data: Ignore, Multiply, Constant, Trimmed, Winsorize (based on "US EPA QA Guidance for Data Quality Assessment, Practical Methods for Data Analysis")
New Statistical options: Define any Quantile, Confidence interval, T-statistics, Number and % of Non-Detects, number and % of detects below and above standard, Skewness, Kurtosis, Tolerance interval + limits
Save statistical report configurations for future recall
For statistical calculations, automatically displays a separate statistic for every symbol in the record list
Statistical Trend Analysis:
  -Linear Regression
-Sens test
-Mann Kendall test
Statistical Outlier test:
  -Dixon's test (Extreme value test)
-Discordance test
-Rosner test
Walsh's test
Test for Normality:
  -Studentized range test
-Geary's test
-Shapiro Wilk test (W-Test)
-D'Agostino's test
-Variance coefficient
New QA/QC Report: Compare sample to its duplicate to determine margins of error - quickly find and highlight samples containing outlier values and non detects!
Save hardwired reports and table views as Excel format





Data Management & Display

 
User-defined picklists for text parameters (customize a predefined list of values for any text field for sample or station parameters)
Enhanced options for sample details window (adjust frame sizes, station tab is now moved, etc.)
Import data from Excel (.XLS) format.
Export data, reports, and spreadsheet to Excel format
Save Advanced Finds (Queries), and recall later on.
Export XYZ data
Export any station locations, and attribute data (elevation, gw elevation, chemical concentrations, etc.)to ESRI points shape (.SHP) file, to be used with GIS tools, such as HydroGeo Analyst
Modify and save the Chemicals database, for future recall.
Database - ranges - define a natural occurrence flag, to be used for quality control, to check if concentrations are outside the normal distribution
Change parameter types after they are created (ex change from Text to Integer)
Sample details: analysis may be marked as outlier, and it can be excluded from all calculations and plots




Water Quality Standards & QA/QC

 
When importing water quality guidelines, automatically match chemical CAS Registry # to parameter name in the database; eliminates the need for manual matching
In table view and sample details window, display a color legend symbolizing the color for each exceedence level.
Test to see if chemical concentration exceeds solubility
Test for concentration outside defined natural occurrence interval

Tools & Calculations

 
New option in Decay calculator: estimate half life from 2 concentration/time pairs.
OH-concentration is included in the alkalinity calculations if available
   
New time functions:
- "season", which returns a season number for every
sample date. E.g. you may search for season = 2 and all
summer samples will be highlighted. This can be useful if
you have a scatter plot with deep and shallow samples
and you want to see if samples from the same season
will build clusters.
- "month" to retrieve all samples from the same month
- "year" function to retrieve all samples from the
    same year







AquaChem Main Features

Data Management

AquaChem utilizes the MS Access™ relational data management system for maximum performance, flexibility and data integrity and is capable of supporting an unlimited number of parameters with customizable measurement units

  • Two-click access to user-defined data filters for fast isolation and retrieval of selected samples
  • Includes a direct link to a customizable lookup table containing more than 350 common inorganic and organic chemicals
  • Fast, flexible, and easy data entry using tabular views of multiple samples, form views of individual samples, or using the improved data import wizard with automatic matching of CAS Registry Numbers
  • User-defined picklists ensure quick and consistent use of text parameters

Importing Data
Import from a variety of data configurations including:

  • One Sample per row / multiple parameters in columns
  • One Sample per column / multiple parameters in rows
  • One Sample and one parameter per row
  • Import data directly from MS Excel (.XLS) format
  • Import water quality guidelines, and match CAS Registry number to AquaChem parameter names
  • Automatically import data with CAS Registry Numbers to match AquaChem source file
  • Save all import settings for re-use with other similarly formatted data files

AquaChem
Data Querying and Filtering

  • Easy-to-use query interface allows you to create and execute simple queries involving a single criterion, or complex queries combining multiple criteria
  • Quick pick filter list provided for easily isolating samples and stations of interest (create and save as many custom data filters as needed)
  • Robust management/filtering/handling of non-detect data based on the "U.S. EPA QA Guidance for Data Quality Assessment, Practical Methods for Data Analysis" (ignore, multiply, constant, trimmed, winsorize)

AquaChem
Water Quality Standards

  • Comes with built-in standards from WHO, USEPA, and CCME, and allows you to create, import and customize virtually any set of water quality standards
  • Generate Water Quality Exceedence Reports for selected samples
  • Water quality exceedence values are automatically highlighted when viewing individual sample     results, or tabular summaries of selected samples using a color scheme to identify each     exceedence level
  • Import water quality guidelines and automatically match chemical CAS Registry Number to the associated parameter name in AquaChem's database - no more need for manual matching!

AquaChem
Plotting & Mapping

  • Piper, Durov Diagrams, Ternary
  • Pie, Stiff, and Radial Diagrams
  • X-Y Scatter and Time Series Graphs
  • Frequency Histograms
  • Box and Whisker
  • Box & Whisker (month, year, or season)
  • Geothermometer, Giggenbach Triangle
  • Meteoric Water Line
  • Quantile Plots
  • Detection Summary
  • Langelier-Ludwig, Wilcox Plots, Schoeller
  • Overlay Radial or Stiff Diagrams, Bubble Plots, or Pie Charts over AutoCAD DXF sitemaps
  • Overlay Radial or Stiff Diagrams, Bubble Plots, or Pie Charts over georeferenced raster images

Plotting Features:

  • All plots are dynamically linked to the Sample List and are updated on-the-fly as samples are added     and removed or as data is modified
  • All plots may display data for all samples in the Sample List, or only for selected samples
  • Data inspection tool displays parameter values for any point on any plot simply by clicking on the     point of interest
  • All plots include customizable options for legends, axes, titles, and symbols
  • Save multiple plot configurations for easy recall and analysis

Statistical Calculations

AquaChem includes a complete list of statistical features, all optimized to work with your AquaChem data set.

Trends Analysis

  • Mann-Kendall Test: A Non-parametric test used to determine a increase or decreasing trend
  • New Linear Regression: Regression line based on concentration vs. time
  • Sens Test: Estimates value and confidence interval for a time concentration slope

Summary Statisitics

  • Average, Mean, Range, Minimum, Maximum, Standard Deviation, Percentiles, etc.
  • Interquartile Range: The interquartile range is a measure of spread or dispersion - highlights the difference between the 75th percentile and the 25th percentile.
  • Confidence Intervals: The confidence interval represents a range of values around the sample mean that include the true mean
  • T-Statistics: T-Statistics calculates the t value of the Student's t distribution
  • Percentage Non-Detect: Percentage of values below the detection limit
  • Skewness: Skewness is a measure of symmetry of a distribution
  • Kurtosis: Kurtosis describes the form a distribution. Positive kurtosis indicates a "peaked" distribution and negative kurtosis indicates a "flat" distribution.
Outlier Tests
  • Dixon's Extreme Value Test: Detects outliers when the sample size is less than or equal to 25
  • Discordance Test: Used to determine if one extereme value is an outlier
  • Rosner Test: Used to detect up to 10 outliers for sample sizes of 25 and more
  • Walsh's Test: A non parametric test and therefore can be used if the data is not normally distributed. This test requires a large sample size of n > 60.
Test for Normality
  • Studentized Range: Test compares the range of the sample to the sample standard deviation
  • Geary's Test: Uses The ratio of the mean deviation of the sample to the sample standard deviation
  • Shapiro Wilk Test: One of the most powerful test for normality, recommended by several EPA guidance documents
  • Agosdino's Test: tests the null hypothesis of normality or lognormality when n >50

Reporting, Printing, or Exporting Your Water Quality Results

  • Save reports to *.HTML, *.CSV, *.TXT, or *.RTF formats
  • Export data, reports, and spreadsheets to MS Excel format
  • Export any station with attribute data for use in GIS tools such as HydroGeo Analyst
  • Statistic report supports multiple units allowing the user to quickly select and calculate several parameter units simultaneously
  • A custom Report Designer allows you to create sample reports containing any set of selected parameters and to format the organization and presentation of the results
  • The Template Designer has been improved to make it easier to create customized page layouts for printing Reports and Plots
  • The Plot Print Options have been improved to make it easier to select and customize the  arrangement of plots on the page

AquaChem
Built-in Tools

  • Unit Calculator: Converts values from one measurement unit to another for most common unit categories
  • Decay Calculator: Calculates the concentration of a chemical after a period of time subject to a specified decay rate, or calculates the time required for a chemical to reach a specified concentration subject to specified decay rate (degradation rates for air, soil, groundwater & surface water)
  • Species Converter: Converts any species into a different form. This is useful to express a measured amount of a parameter as a different aqueous species when expressed in mg/L
  • Volume Concentration Converter: Converts volume concentration (ppm) of a specified chemical formula to mass concentration (mg/m3)
  • Special Units Converter: Converts values from one measurement unit to another for measurements units such as pe - Eh, Alkalinity - HCO3, and Conductivity (us) - Resistivity (Ohm/cm)
  • Formula Weight Calculator: Calculates the formula weight of virtually any organic and inorganic chemical


AquaChem
Water Quality Modeling with PHREEQC

  • Direct link to PHREEQC to calculate the saturation indices, activities or pH for selected water quality samples and seamlessly save the results back into the AquaChem sample database
  • Built-in link to the USGS PHREEQC-Interactive program for complex water quality modeling using solutions generated from AquaChem samples

AquaChem - Printing

AquaChem prints all reports and graphical displays to any printer or plotter supported by Windows 98/NT/2000/XP. The printing utility allows you to size and arrange the location of an unlimited number of open graphical displays on the page. This is particularly useful for comparing Stiff and Radial diagrams from multiple samples, or for using several different graphical displays to interpret groups of samples in each plot.

The graphs can arranged and printed on a blank page, or you can selected from a set of built-in page layout templates that allow you to enter details about the project, the page title, and a description of the figures. Alternatively, AquaChem allows you to customize the page layouts or create your own template (including importing a bitmap of your company logo).


Documentation

AquaChem is accompanied by a comprehensive user's manual containing easy-to-follow instructions and a step-by-step tutorial. Technical support is provided via phone, fax or e-mail.




Data Management

AquaChem is built around a customizable MS Access database that can be configured to include more than 1000 alphanumeric parameters per sample. The parameters are divided into the following parameter groups:

  • Station Description Parameters: Station ID, Site, Location, Geology, etc.
  • Sample Description Parameters: Sample ID, Sampling Date, Project, Customer, Water Type, Lab Code, etc.
  • Measured Parameters: Select from more than 350 Organic and Inorganic chemicals, in addition to physical parameters, ( pH, Conductivity, TDS, etc.), Gases and Isotopes.
  • Modeled Parameters: PHREEQC Saturation Indices and Activities

Each of these parameter groups contains pre-defined parameters which can be used to create a data structure that is customized for your sampling and reporting requirements. You may select from a chemical database of chemicals, or easily create your own parameters in any of the groups.




AquaChem



AquaChem

Data Entry & Importing

AquaChem is developed with easy-to-use tables, including user-defined picklists, for manual entry of all project data. However, in many situations, the data used by AquaChem will need to be imported from a file provided by a client, a lab or generated by some other software application. This is a more practical method when dealing with larger data sets.

AquaChem can import hundreds or thousands of records from .TXT, .PRN, .CSV, or MS Excel files, saved from virtually any spreadsheet or database program. This data may be provided in a number of different formats which may not coincide exactly with the database structure used by AquaChem. In additions, the chemical names used in the source file may be different than the field names used in AquaChem. As a result, AquaChem includes the option to choose from a selection of data formats, and to use the CAS Registry Number to automatically map the source file chemical names to the AquaChem field names. Water Quality Guidelines may also be imported in a similar fashion.




AquaChem


Table View Editing

AquaChem allows you to view and edit data in a tabular spreadsheet-like format containing all samples displayed in the sample list. This is a convenient method of handling a series of data or comparing selected parameter values for multiple samples.




AquaChem

Exporting Data

AquaChem also includes a convient export tool that helps you to continue working with your water quality data, outside the AquaChem environment.

  • Export data, reports, and spreadsheets to MS Excel format
  • AquaChem Export XYZ data sets
  • AquaChem Export station locations with attribute data to ESRI TM (.SHP)
  • AquaChem Exported .SHP files can be used in GIS programs like HydroGeo Analyst

Data Replace

You may run a global find and replace for any sample or station parameters, which do not contain values, or for which you would like to substitute values. This can be a quick way to fill in constant values for parameters for all samples in your database. For example, if all samples belong to the same project or the same location you may fill the respective fields automatically using this tool. Or, you may fill in a constant MDL value for all samples, for a selected chemical.






Water Quality Modeling

AquaChem makes it easier than ever to quickly utilize the most basic functionality of the popular USGS PHREEQC program directly from the AquaChem interface.

AquaChem has several modeling tools available:


AquaChem
Calculate Saturation Indices and Activities
Now, with just one click of the mouse, you can use PHREEQC to calculate the saturation indices or activities for selected water quality samples and automatically store the results back into the AquaChem sample database record.


AquaChem

AquaChem
Calculate pH
With a few clicks of your mouse, you can use PHREEQC to calculate the pH for the selected water sample. This tool can be used to estimate a missing pH value for an individual sample, or to validate a measured pH value.

AquaChem


AquaChem
Calculate Eh
With a few clicks of your mouse, you can use PHREEQC to calculate the Eh for the selected water sample. In some cases, it may be very difficult to obtain meaningful Eh values by direct measurements. Instead, you can use PHREEQC to calculate the Eh by means of the redox speciation with the Nernst Equation. Each redox couple, e.g. Fe2+/Fe3+, Mn2+/Mn3+ gives an individual Eh value, which in cases of equilibrium conditions, should be reasonable.

AquaChem
AquaChem
PHREEQC Advanced
For more complex water quality modeling scenarios, AquaChem provides a link to one of the popular public domain graphical interfaces for PHREEQC available from the USGS Water Resources Software web site. You can choose to run either the USGS PHREEQC-Interactive program, or the PHREEQC for Windows program development by Vincent Post. In each case, AquaChem takes selected samples from the AquaChem database and passes these to the PHREEQC graphical interface program to use as 'solutions' in the water quality simulation.
AquaChem
PHREEQC-Interactive
PHREEQC-I is a Windows graphical user interface for the PHREEQC program. Both PHREEQC and PHREEQC-I are public domain programs developed by the USGS and are available to download from the USGS Water Resources Software web site indicated below:

http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc

AquaChem
AquaChem
PHREEQC for Windows
PHREEQC for Windows is a 32-bit Windows version of the geochemical model PHREEQC. PHREEQC for Windows contains the full functionality of PHREEQC v.2. The input files for the program are backward compatible with the normal version of PHREEQC. This means that you can use any file created with the normal version in PHREEQC for Windows.
PHREEQC for Windows is freeware, and may be downloaded from the web site indicated below:

http://home.hccnet.nl/vincentpost/phreeqc.html
AquaChem




AquaChem
Data Analysis

AquaChem uses the common measured values (cations and anions) for each sample to calculate additional geochemical parameters including Water Type, Sum of Anions, Sum of Cations, Ion Balance, TDS, Hardness, Alkalinity, Common Ratios, Sodium Adsorption Ratio, Magnesium Hazard, and Dissolved Minerals.

AquaChem
AquaChem Compare Samples


The Compare Samples report allows you to compare a sample in your database to another sample or multiple samples. The Compare Samples report uses a linear regression algorithm to generate the Correlation coefficient and the Euclidean distance between a selected sample and all other active samples. Samples having a chemical composition similar to the selected sample will have a correlation close to 1. This allows you to quickly determine the similarities or differences between your water samples.


AquaChem
Correlation Matrix


The Correlation Matrix report generates a correlation matrix for a specified number of sample parameters that are common to all active samples. A linear regression routine calculates the regression coefficient (r), and the slope and intercept of the regression line. This allows you to quickly determine the similarities or differences between your water samples.

AquaChem
Water Quality Standards

Water Quality analysis reports can be produced to identify chemical exceedences for the selected sample. Samples can be compared to Water Quality guidelines from the US EPA, CCME, or WHO, or create and import your own set of standards.

AquaChem
AquaChem
Mix Samples

The Mix Samples report generates solution concentrations resulting from the step-wise mixing of specified proportions of two selected samples from the project database. The mixing analysis report can be used in a situation where you have three water samples (ex. groundwater, seawater and freshwater) and you suspect that the groundwater is a mixture of the freshwater and the seawater. The analysis can be used to estimate the percentage of freshwater and the percentage of seaAquaChem_Geochemical_data_analysis_plotting_using_PHREEQCwater required to obtain the groundwater composition of selected parameters.

AquaChem
Reliability Check

The Reliability Check report allows you to confirm the validity of the measured sample data. There are a number of tests (ex. ion rations, TDS analysis) provided in AquaChem which can provide insight into the reliability of your analysis. This report can be used as a quality assurance tool to check for sampling or analysis error for a selected water sample.
AquaChem
AquaChem
Rock Source Deduction

This report allows you to determine the possible origin of the water analysis. The results are a general overview, based on ions ratios found in the selected sample. If results do not meet expectations the result should be confirmed with more detailed study, based on multiple samples, aquifer mineralogy analysis, modeling, and plots.

AquaChem

Statistical Calculations

AquaChem includes a complete list of statistical features, all optimized to work with your AquaChem data set.

Trends Analysis

  • Mann-Kendall Test: A Non-parametric test used to determine a increase or decreasing tren
  • New Linear Regression: Regression line based on concentration vs. time
  • Sens Test: Estimates value and confidence interval for a time concentration slope

Summary Statisitics

  • Average, Mean, Range, Minimum, Maximum, Standard Deviation, Percentiles, etc.
  • Interquartile Range: The interquartile range is a measure of spread or dispersion - highlights the difference between the 75th percentile and the 25th percentile.
  • Confidence Intervals: The confidence interval represents a range of values around the sample mean that include the true mean
  • T-Statistics: T-Statistics calculates the t value of the Student's t distribution
  • Percentage Non-Detect: Percentage of values below the detection limit
  • Skewness: Skewness is a measure of symmetry of a distribution
  • Kurtosis: Kurtosis describes the form a distribution. Positive kurtosis indicates a "peaked"
  • distribution and negative kurtosis indicates a "flat" distribution.

Outlier Tests

  • Dixon's Extreme Value Test: Detects outliers when the sample size is less than or equal to 25
  • Discordance Test: Used to determine if one extereme value is an outlier
  • Rosner Test: Used to detect up to 10 outliers for sample sizes of 25 and more
  • Walsh's Test: A non parametric test and therefore can be used if the data is not normally distributed. This test requires a large sample size of n > 60.

Test for Normality

  • Studentized Range: Test compares the range of the sample to the sample standard deviation
  • Geary's Test: Uses The ratio of the mean deviation of the sample to the sample standard deviation
  • Shapiro Wilk Test: One of the most powerful test for normality, recommended by several EPA guidance documents
  • Agosdino's Test: tests the null hypothesis of normality or lognormality when n >50


AquaChem
Creating Professional Water Quality Plots

One of AquaChem's most powerful features is its ability to efficiently manage, create, and graphically display a wide range of water quality data. AquaChem includes a comprehensive selection of more "23 industry-standard plots". Ultimately, AquaChem will effectively help you to make sense of your water quality data, and provide the platform for reporting results to your client in a professional format.

AquaChem is also designed with strong links through all aspects of the program making it easily to quickly identify and link sample data within each point in a plot. This simple, yet important feature allows the user to analyze data using several interpretation methods. In addition, each sample record in the database is directly linked to the graphs allowing for immediate changes to the plots.

Other common features include:

  • Fully customizable axes scale settings and unit selections for applicable graphs
  • Complete selection of Windows True Type fonts for plot titles, legends, axis labels, and symbols
  • Proportional symbol sizes using concentration value for any measured or calculated parameter
    Advanced symbol labelling allows for customizing label location
  • Display uncertainty bars (whiskers) on XY scatter plots
  • Display lines for maximum tolerance concentrations or method detection limit on time series plots

Whether reporting data fresh from the lab, or data just entered from the field, AquaChem has all the plotting capabilities you need to analyze and produce comprehensive reports of your water quality data.


Detailed Description of AquaChem Plots

 

AquaChem
X-Y Scatter Plots

X-Y scatter plots are the most simple initial approach to the interpretation of geochemical data. Single plots of ion relationship and parameters that show significant data can be easily created and patterns are quickly identified and easily understood. Both normal scale and log scales are supported for the x and y axes and multiplication factors can be applied to either the x or y parameter. Parameter ratios and sums may also be included for either axes.

The scatter plot can be used to plot all samples in the open database or selected sample groups. The symbols representing the sample points can be customized according to shape and color. The highlighted data points indicate specific samples that are selected in the database and are also highlighted on all other open graphical displays.

AquaChem

AquaChem
Ludwig-Langelier Plots

The Ludwig-Langelier square diagram is similar to the projection areas of the Piper and Durov diagrams. Suitable groupings of cations and anions are selected and plotted as percentages of milli-equivalents. By convention, the sums of the selected cations are plotted on the y-axis, and the sum of the selected anions are plotted on the x-axis. Each axis ranges from 0 to 50 meq%.

All major elements can be displayed in one plot with the Ludwig-Langelier diagram. However, like the Piper and Durov diagrams, it displays relative ratios rather than absolute concentrations.

The Ludwig-Langelier diagram can be used to plot all samples in the open database or selected sample groups. In addition, the symbols representing the sample values can be customized according to shape and color. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.

AquaChem
AquaChem
Wilcox Diagram

A Wilcox plot can be used to quickly determine the viability of water for irrigation purposes. The Wilcox plot is also known as the U.S. Department of Agriculture diagram. The Wilcox plot is a simple scatter plot of Sodium Hazard (SAR) on the Y-axis vs. Salinity Hazard (Cond) on the X-axis. The Conductivity (COND) is plotted by default in a log scale.

The Wilcox plot has the following sections:

Conductivity (us/cm):
C1: Low (0-249)
C2: Medium (250-749)
C3: High (750-2249)
C4: Very High (2250-5000)

The SAR values are divided into the following categories:
S1: Low
S2: Medium
S3: High
S4: Very High


AquaChem
AquaChem
Geothermometer Plots

Geothermometer plots can be used to test the quality of geothermometer estimates for a given geological and hydrogeological condition.

AquaChem
AquaChem
Meteoric Water Line

The Meteoric Water line plot is the standard way to portray measurements of stable isotopes from water. It consists of a scatter diagram showing 18O on the x-axis and 2H on the y-axis. The meteoric water line is defined by the equation 2H = 8.2 + 10.8 x 18O. Most precipitations and groundwaters fall closely on this line. In cases where the measurements are shifted from this line, the type of shifting allows provides important information regarding to the process leading to the observed shift (e.g. rock water interaction, evaporation, mixing with seawater etc.)


AquaChem
Box and Whisker Plot - Time-Series

The Box and Whisker plot displays a statistical summary of any measured database parameter(s). It is composed by a central box showing the spread of the bulk of the data (interquantile range) and the whiskers, showing the length of the tails.

Box and Whisker (Time)


AquaChem
Box and Whisker Plot - Multiple Parameters

The Box and Whisker - Multiple Parameters plot displays a statistical summary of multiple measured database parameters, at a selected station location. The plot displays the following statistical analyses:
The minimum measured value;
Q1: the first (lower) quartile (25th percentile): 25% of the data lie below this value;
Q2: the second quartile (Median): 50% of the data lie below this value;
Q3: the third (upper) quartile (75th percentile): 25% of the data lie above this value;
The maximum measured value


AquaChem
AquaChem
Box and Whisker Plot - Multiple Stations

The Box and Whisker - Multiple Stations plot displays a statistical summary of any measured database parameter, at multiple station locations. The plot displays the following statistical analyses:

The minimum measured value;
Q1: the first (lower) quartile (25th percentile): 25% of the data lie below this value;
Q2: the second quartile (Median): 50% of the data lie below this value;
Q3: the third (upper) quartile (75th percentile): 25% of the data lie above this value;
The maximum measured value


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AquaChem
Frequency Histogram

Frequency Histograms are most commonly used to check the number of populations within a given range of measured values. It allows you to view a large number of samples without the diagram becoming too cluttered with data points. The frequency of samples within the given ranges can be plotted according to percentages or numbers of samples.

The Frequency Histogram can be used to plot all samples in the open database or selected sample groups. The range of values can be customized up to 10 or more groups and the individual samples can be identified at the associated value along the x-axis. The highlighted data points indicate specific samples that are selected in the database and are also highlighted on all other open graphical displays.

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AquaChem
Quantile Plot

The Quantile chart identify the ranked data from lowest to highest on the background of lines that denote Q25, Median, and Q75. Quantile are used to determine if two data sets come from populations with a common distribution. In such a plot, points are formed from the quantiles of the data. If the resulting points lie roughly on a line with slope 1, then the distributions are the same.


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Detection Summary

The detection summary plot is used to visualize the relative proportions of samples above the specified water quality parameters. The plot shows a summary bar for every specified parameter.


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Piper Diagrams

The Piper diagram plots the major ions as percentages of milli-equivalents in two base triangles. The total cations and the total anions are set equal to 100% and the data points in the two triangles are projected onto an adjacent grid. This plot reveals useful properties and relationships for large sample groups. The main purpose of the Piper diagram is to show clustering of data points to indicate samples that have similar compositions.

The Piper diagram can be used to plot all samples in the open database or selected sample groups. In addition, the symbols representing the sample values can be customized according to shape and color. Other options include individual multiplication factors for each selected ion to prevent data point accumulation along a base line. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.

AquaChem

AquaChem
Durov Diagrams

The Durov diagram is an alternative to the Piper diagram. The Durov diagram plots the major ions as percentages of milli-equivalents in two base triangles. The total cations and the total anions are set equal to 100% and the data points in the two triangles are projected onto a square grid which lies perpendicular to the third axis in each triangle. This plot reveals useful properties and relationships for large sample groups. The main purpose of the Durov diagram is to show clustering of data points to indicate samples that have similar compositions.

The Durov diagram can be used to plot all samples in the open database or selected sample groups. In addition, the symbols representing the sample values can be customized according to shape and color. Other options include individual multiplication factors for each selected ion to prevent data point accumulation along a base line. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.

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AquaChem
Ternary Diagrams

A Ternary diagram is also used to identify trends and relationships between groups of samples. However, it is generally easier to understand than Piper or Durov diagrams since it involves fewer parameters and does not project data points onto a grid. Like the Piper diagram, the Ternary diagram plots the ions as percentages of their concentration values. However, the Ternary diagram is not limited to using only meq units.

The Ternary diagram can be used to plot all samples in the open database or selected sample groups. In addition, the symbols representing the sample values can be customized according to shape and color. Other options include individual multiplication factors for each selected ion to prevent data point accumulation along a base line. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.

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AquaChem
Schoeller Plots

These semi-logarithmic diagrams were developed to represent major ion analyses in meq/l and to demonstrate different hydrochemical water types on the same diagram. This type of graphical representation has the advantage that, unlike the trilinear diagrams, actual sample concentrations are displayed and compared.

The Schoeller diagram can be used to plot all samples in the open database or selected sample groups only. Up to 10 different parameters can be included along the x-axis and the symbols representing the sample points can be customized according to shape and color. The highlighted lines indicate specific samples that are selected in the database and are also highlighted on all other open graphical displays.

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AquaChem
Giggenbach Triangle

The Giggenbach triangle is composed of three zones;
1 - immature waters along the base;
2 - partially equilibrated waters in the middle; and
3 - fully equilibrated waters along the upper curve.

Depending on where the composition of a given sample lies within this triangle, you can estimate the extent of rock-water equilibrium based on the concentrations of K, Mg and Na.

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AquaChem
Time Series Plots - Multiple Stations

This Time Series plot displays the evolution of a physical or chemical parameter for multiple sampling locations, as a function of time. This plot is a standard technique for interpreting hydrochemical and hydrogeological processes in natural waters.

The Time Series plot can be used to plot all samples in the open database or selected sample groups. The symbols representing the sample points can be customized according to shape and color. The highlighted data points indicate specific samples that are selected in the database and are also highlighted on all other open graphical displays.


AquaChem
AquaChem
Time Series Plot - Multiple Parameters

This Time Series plot displays the evolution of multiple chemical or physical parameters for a given sampling point as a function of time. This plot is a standard technique for interpreting hydrochemical and hydrogeological processes in natural waters.

The plot symbols representing the sample points can be customized according to shape and color. The highlighted data points indicate specific samples that are selected in the database and are also highlighted on all other open graphical displays.



AquaChem
AquaChem
Time Series Plot - Bar Chart

Time Series Bar Plot is used to display a statistical summary over a specified time period as a bar chart. The options for the time period over which the data is to be aggregated include month or year. Summary values per period can be displayed as Minimum, Maximum, any Quantil, and Standard Deviation.




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Radial Diagrams

Radial diagrams are plotted for individual samples as a method of graphically comparing the concentrations of measured parameters for several individual samples. The shape formed by the Radial diagrams will quickly identify samples that have similar compositions and are particularly useful when used as map symbols to show the geographic location of different water facies.

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AquaChem
Stiff Diagrams

Stiff diagrams are plotted for individual samples as a method of graphically comparing the concentration of selected anions and cations for several individual samples. The shape formed by the Stiff diagrams will quickly identify samples that have similar compositions and are particularly useful when used as map symbols to show the geographic location of different water facies.

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AquaChem
Pie Charts

Pie charts are used to plot the concentrations ratio of the major ions (or any combination of parameters) for individual samples. As with the Stiff and Radial diagrams, the Pie chart is used to graphically compare the concentration ratios of several measured parameters for several different samples. The color and patterns used to identify each parameter are customizable.

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AquaChem
Depth Profile Plot

The Depth Profile plot is similar to a borehole log done in the field; the plot displays the change of a measured parameter over a measured sampling depth. The plot can be used to plot all samples in the open database or selected sample groups. In addition, the symbols representing the sample values can be customized according to shape and color. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.


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AquaChem
Plotting over Georeferenced Raster Images

Sample locations can be displayed on an X-Y graph and detailed site maps can be imported from a variety of RASTER images such as JPG, BMP, TIF, etc. Overlaying your water quality plots over a georeferenced image will provide a familiar point of reference when you are analyzing sample data. The symbols representing the sample locations can be customized according to shape and color. In addition, the map plot can be used to display the location of different water types, or the symbols can be scaled in color or in size according to the concentration of a selected measured element. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.


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Plotting over AutoCAD DXF Files

Sample locations can be displayed on an X-Y graph and a detailed site map can be imported from AutoCAD DXF files to provide a familiar point of reference when you are analyzing sample data. The symbols representing the sample locations can be customized according to shape and color. In addition, the map plot can be used to display the location of different water types, or the symbols can be scaled in color or in size according to the concentration of a selected measured element. The highlighted sample points indicate samples that are selected in the database and are also highlighted on all other open graphical displays.

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