ESdat Tutorial 3 1 Analysing Chemistry

Tutorial 3-1
Analysing Chemistry
For use with ESDAT version 5

(version 5 software updates available from www.esdat.com.au)
Tutorial 3-1 Analysing Chemistry www.esdat.com.au
Tutorial 3.1 Analysing Chemistry
Contents
Introduction ...............................................................................................................................2
Pre-requisites .............................................................................................................................2
Key Learning...............................................................................................................................2
Introduction ...............................................................................................................................3
Exercises.....................................................................................................................................4
Exercise One: ESdat Chemistry Tables and Views..................................................................4

Exercise Two: Creating Chemistry Output Tables ..................................................................7
Exercise Three: Creating graphs with Chemistry Output Results ........................................12
Exercise Four: Mapping with Chemistry Outputs ................................................................15
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EarthScience Information Systems www.escis.com.au
Introduction
This tutorial:
 examines filtering, graphing, mapping, and exporting various forms of chemistry data
 introduces the analysis and reporting functions within ESdat
 applies to both Access and SQL Server versions of ESdat
 requires approximately 90 minutes to complete
Pre-requisites
It is assumed the user has previously completed:
 Tutorial 2 – Introducing ESdat
Tutorials 3-2 and 3-3 should be completed in conjunction with this tutorial.
For a full list of the Tutorials available for use with ESdat, please see the Tutorial List.
Key Learning
Following completion of this tutorial, the user will have developed skills in the following:
 ESdat chemistry data tables and outputs
 filtering, graphing, mapping and exporting chemistry data
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Introduction
In tutorial 2, field and laboratory analytical chemistry data was imported into ESdat. In this
tutorial the imported data will be used to:
 generate chemistry output tables summarising the field and analytical data
 compare analytical chemistry data against nominated assessment criteria
 highlight analytical chemistry data exceeding the assessment criteria
 graph chemistry data
 display the location of data exceeding the criteria on a map with other map data
 export the map to be viewed into other GIS platforms
To perform those tasks you would be using ‘Sample Hydrogeology and Contam’ database.
The tutorial is divided into exercises and is designed to explore you the chemistry data
tables and ESdat functionalities at your own pace.
This tutorial features four exercises, which are summarised as follows:
Exercise 1
Explores how data is accessed from the ESdat interface.
Exercise 2
Filtering data to create output tables presenting analytical chemistry results compared
against assessment criteria
Exercise 3
Generation of graphs using the chemistry results and applying trend analysis
Exercise 4
Generation of a map showing the location of samples exceeding assessment criteria and
export the map to an external GIS platform
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Exercises
Exercise One: ESdat Chemistry Tables and Views
 Start ESdat and open the ‘Sample Hydrogeology and Contam’ database (which
appears under the projects list when ESdat is opened)
ESdat stores data in Data Tables. These Data Tables can be accessed through the Data
Tables button located at the far right of the ESdat screen (as shown in the figure below).
 Hover the cursor over the Data Tables button to prompt a drop down list of the data
tables within ESdat
When a new database is created within ESdat, these data tables are empty. Importing data
(such as analytical chemistry data or field measurements) into the database through the
ESdat interface populates these tables.
The sample database ‘Sample Hydrogeology and Contam’ already contains data within the
Data Tables that has previously been imported to allow new users to explore ESdat
functionality.
ESdat combines the ‘raw data’ from within the different Data Tables to produce desired
tables (often called ‘querying’ the database).
Commonly used data combinations (or queries) have been the pre-defined and can be
accessed through the green Data Type buttons in a row located towards the top of the
ESdat interface (labelled Locations, Borehole/Wells, Geology and so on).
The different Data Type buttons within ESdat are described on following page and in other
(subsequent) tutorials.
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Chemistry Data Tables
The main tables for the storage of chemistry analytical data are the ‘Chemistry_Samples’
and ‘Chemistry_Results’ tables.
 Hover the cursor over the Data Tables button to view the drop down list of tables
 Select ‘Chemistry_Samples’ table and review the columns headings and data within
 Do the same for ‘Chemistry_Results’ table
 Other Data Tables from the drop down list can be associated with chemistry analysis
if required, such as:
o ‘Location’ (stores location attributes for a sample, such as coordinates)
o ‘Wells’ (stores attributes for a groundwater well, such as screen interval)
o ‘zRef_Chemistry_Lookup’ (attributes of individual chemical analytes)
o ‘zRef_Chemistry_Lookup_Chem_Group’ (analytical suites/groups attributes)
 Open each of these tables individually (one by one) and familiarise yourself with the
column headings and data within the tables
Data Panel
The ESdat interface features an area from which data within the database can be viewed. As
can be seen in the figure below, data from the Chemistry_Results Data Table are visible in
columns.
Above the table grey three tabs are visible and are labelled Data, Map and Filter. These tabs
open different Panels. The Data Panel allows the user to view numerical and text data
(highlighted by the red arrow below). The Data Panel is the default panel when ESdat is
opened. The function of the other tabs will be introduced in subsequent tutorials.
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Data Type: Water Chemistry

The ESdat interface features a row of green buttons across the top of the screen (as shown
in the figure below, which shows Water Chemistry has been selected). These buttons are
referred to as Data Type buttons.
Data Type
buttons
The ‘Water Chemistry’ Data Type Button is designed to display results of chemical analysis
of water and field parameters (contained within the Chemistry_Results and
Chemistry_Samples Data Tables) combined with other Data Tables (such as the Location and
Wells Data Tables, which contain location and groundwater well data).
Hovering the cursor over the Water Chemistry Data Type button prompts a drop down list
to be created. From the list, the following options can be selected:
 LChem1_Chemistry contains a combined view of data from the Data Tables described
above
 LChem3_milliEquivalents displays data with chemical concentration in
milliequivalents
Note: Milliequivalent data is not covered in this tutorial, for more information see:
 http://www.esdat.net/esdathelp/index.html?geochemistry.htm and
 http://www.esdat.net/esdathelp/index.html?piper.htm
Take some time to become familiar with the other Data Type buttons and associated drop
down lists by clicking and hovering over each button to prompt the different drop down list.
Notice (as mentioned) previously, some tables will be populated, while others contain no
data.
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Exercise Two: Creating Chemistry Output Tables

ESdat features a Chem Table tool which is used to construct various chemistry output tables,
such as tables comparing laboratory results against criteria (or guidelines/standards etc.).
The Chem Table tool is accessed via a button located on the vertical toolbar at the right of
the ESdat Data Views screen.
In this exercise output tables presenting water chemistry compared with selected
assessment criteria will be prepared.
 From the Water Chemistry Data Types Button drop down list, select the
‘LChem1_Chemistry’ table
 Click on Chem Table tool button to start creating a chemistry output table
A dialog box labelled Chemistry Output Tables will open.
At this point, filters can be applied to the data in one of two ways.
1. If the user is viewing a chemistry view and a filter has already been applied in ESdat,
this can be applied by selecting Use Current ESdat Filter.
2. Alternatively, a filter can be created by selecting Construct Filter.
Click Construct Filter
Review the available filter options:
a. Matrix
b. Date range, Monitoring Round, Lab Report, or SDG
c. Compounds
The “Construct Filter” filtering options cover the more repetitive and common filtering
requirements, while generating a filter in the main ESdat screen and using the “Use Current
ESdat Filter” option allows much more custom filters to be generated. Generating filters in
the main ESdat screen is discussed in detail in the Filtering tutorial.
As no filter has been created in the Filter Panel for this exercise, no filter will be applied and
all data within the ‘LChem1_Chemistry’ table will be used for creating the table in this
exercise.
 Select Use Current ESDAT Filter (note the Filter Text Window is empty and so no
current filter exists, meaning all Water Chemistry data will be exported)
 Click Next - options to vary the following components of the chemistry tables appear
(as shown in the figure overleaf)
o Orientation (chemicals displayed vertically or horizontally)
o Grouping of chemistry (e.g. group BTEX components together, or by lab
groupings or suites)
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o Location/Sample data (which fields are to appear with the chem data, such
as field ID, matric type, sample date etc. – note these can be reordered using
the Up/Down buttons adjacent)
o Environmental Guidelines (if guidelines/standards/criteria have been
uploaded to ESdat, they will appear here)
o Comments & Statistics (check boxes – select to include with the tabulated
data)
A More Options button is also available and allows the user to control/vary the following (as
shown in the figure below):
o Statistics (which to be included)
o Table layout (formatting)
o Enviro Standards (control how exceedances are displayed)
o Rename headers (relates to Location/Sample data above, allows changing of
field names, sich as from Field_ID to Field ID)
 Set Orientation to Chemical Names across the top
 Click More Options to open the Chemistry Table Output Setup dialog box
 Select the Enviro Standards tab
 Change Detects colour to light green (as shown in the figure overleaf)
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 Close the dialog box

 Keep all other settings as default
 Click Finish to generate the Output table will be generated in Excel
 Review the Excel spread sheet and confirm guideline exceedances are highlighted
with light green colour
 Select (click in the relevant cell) one of specific guidelines from top rows (e.g.
ANZECC 2000 FW 95%)
 Click on the Format Exceedences button in the spread sheet (top left of the
spreadsheet – as shown in the figure above)
 The Format Environmental Standard Exceedences dialogue box will open (as sohwn
overleaf)
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 Click on the Bold

 Change the colour to Red
 Select another Guideline and change its font colour
 Save the Excel spread sheet to your desktop to review
 Return to ESdat and create another Chemistry Output Table from the same data
selection
 Change orientation to Chemical Names vertical
 Click Finish
 Review the output in comparison to the first table
 Review and experiment with other options to vary the appearance of the output
table
Constructing by Sample Batches / Lab Reports
As described earlier, a degree of quick filtering can be made to generate output tables based
on specific lab reports or monitoring rounds.
 Commence creating a chemistry output table by clicking Chem Table
 Click ‘Construct Filter’ to reveal the filtering options, as shown in the figure below:
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 Select a suitable Matrix for the output table (e.g. water)

 Select a specific lab report number (via the Lab Report tab)
 Click Next to return to the previous window
 Click Finish to generate the Output table in Excel
 Review the output table and compare it with previous output tables
 Repeat these steps, exploring filtering based upon Mon Rnd, SDG and Date and
review the output tables
 In addition, explore the options presented via the More Options button, including
Statistics, Table Layout, Enviro Standards and Rename Headers tabs
 Prepare output tables for Soil/Rock chemistry by selecting the SChem1_Chemistry
table from Soil/Rock Chemistry Data Types
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Exercise Three: Creating graphs with Chemistry Output Results

ESdat offers various options to produce graphical outputs of monitoring data using the
Produce Graph plots in Excel tool (as shown in the figure below and located at the right of
the Data Views view type in ESdat).
Clicking on the main body of the Graph button will automatically produce an Excel plot of
the data selected in ESdat.
Graphing options can be varied prior to creating the graph by clicking the arrow at the right
of the Graph button (as shown in the figure above).
The appearance (Setup) of the charts can be specified, and chart templates modified as
required to customise them for your reporting requirements.
ESdat includes modules to perform Mann Kendall Trend Analysis and Linear Regression
Analysis on datasets.
Trend analysis results are shown on graph exports, by selecting the desired analysis option
in the Graph Data in Excel dialogue box.
 Open LChem1_Chemistry table from Water Chemistry Data Type Button (as shown in
the figure below)
 Click Graph to generate an Excel spread sheet with series of graphs

 Open the Excel spread sheet and review various graphs
Note a separate graph is generated under different chemical names (ChemName).
In addition, the last two worksheets contain environmental standards and the raw data used
to generate the graphs. Standard Excel graph modification tools to change colour and design
of graphs from within Excel.
 Return to ESdat and click on the arrow at the right of the Graph button to open the
Graph Data in Excel dialog box (as shown overleaf)
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 Clicking the Plot button at the lower left corner (without altering any options) will
create graphs identical to those created by simply clicking the Graph button
Note the options for selecting values (fields) for the x and y axes. In the example above, the
Concentration field is used for the y-axis and Sample_Date-Time is used as y-axis.
Points on the graph are generated for LocCodes and WellCodes with corresponding
Concentration and Sample_Date-Time.
Separate charts (graphs) can be generated by checking the New Chart for changes in
checkbox.
In the example presented in the figure above, a new graph is generated for each ChemName
and for Total or Filtered results.
 Click List All Options – note all fields visible in the Data Panel now appear as options
for data points, x-axis, y-axis and to generate a new chart
 Review the Fields in the ESdat Data Panel and compare with the options in the Graph
data in Excel dialogue box
 Explore the different combinations of data points, x-axis, y-axis and new chart
generation
Different graph templates can be used in generating graphs. At the bottom of the Graph
data in Excel dialogue box, note the options to Add to Active Excel Chart or to select a
Template.
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 Select a different Template and review the output

 Click on ‘Environmental Standards’ tab and select a guideline from the list
 Return to the Setup tab
 Click Plot and review the resultant graph
Multiple guidelines may be used or include environmental standards can be turned off
create your report without any standards guideline.
Analysing Chemistry Trends
Selecting the Trend Analysis tab from the Graph data in Excel dialogue box displays the
trend analysis options that can be applied (as shown in the figure below).
 Click Trend Analysis tab
 Turn on Calculate Linear Regression Trend

 Return to the Setup tab and note that the chart template automatically changed to
MultiChart Template
 Keep other options as default
 Click on Plot
A Trend Analysis table and associated graphs are generated in Excel.
Within the generated Excel spread sheet the first worksheet Trend Info contains trend
analysis data.
 See the data under ‘Linear Trend’ column and the investigate trend results
 View the trend graphs in other worksheets
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Exercise Four: Mapping with Chemistry Outputs

Tutorial 1 introduced mapping and labelling locations within maps, including non-chemistry
parameters (such as water level).
This exercise will focus on mapping and labelling using chemistry results.
Maps that show specific data of interest can be created using ESdat, such as mapping water
sampling points with lead concentrations for the Lower Aquifer.
By combining the filtering and mapping features of ESdat, a map can be created to show
these data.
Mapping chemistry data
 From the Water Chemistry Data Type open the LChem1_Chemistry table
 Open the Filter Panel
The following steps will construct a filter the data for samples obtained from the Lower
Aquifer and analysed for Lead.
 Click on ChemName
 Double click on Lead
 Click on MonitoringUnit
 Double click on Lower Aquifer
The following query should have been generated in the Filter Text Area (as shown in the
figure below):
ChemName = ‘Lead’ AND MonitoringUnit = ‘Lower Aquifer’
 Click ‘Apply Filter’

 Click on Map Panel to view the locations of filtered data in a map
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Rendering map symbols

Map layers are visible in the area immediately to the right of the map (as shown in the
figure overleaf). The following steps will present how to rename the layer
LChem1_Chemistry to Lead in Lower Aquifer.
 Double Click on the layer name
 Select the Layer tab
 Beneath the title Caption, the text LChem1_Chemistry can be edited manually
 Click OK
 Click on Zoom to Selected Layer button to expand the map extent to fit all data
points (locations) with lead results for the Lower Aquifer (the relevant layer must be
selected on the right)
 Change location symbol to solid red with white outline so that it stands out on top of
aerial image (refer to the Mapping Tutorial for guidance)
 Click the Label button above the map window, opening the GIS Layer Option – Simple
dialog box (as shown below)
 Turn on the Show Value and Colour points by options thereby adding a map label
from the specified field (drop down list)
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 From both drop downs select Concentration

 Click OK
The Location Code and Lead concentration range are now shown for each point (sample
location) on the map. The various coloured dot points showing on the map will indicate
different range of concentrations of Lead (note the colour scale that has appeared in the
layer list to the right of the map).
 Change Label background to Transparent and remove the black outline box so
locations obscured by labels (refer to the symbology section of the Mapping Tutorial)
Displaying Exceedance Tables in the map
Labels can also be used to display exceedances specific to a location.
 Click the Label button of the map window to open the GIS Layer Option – Simple
dialog box
 Turn on the Show Result Table
 Click the Exceedances button – a list of available guidelines will appear (below)
 Select a guideline from the list

 Choose colour from colour palette to the right
 Repeat for a second guideline
 At the top right of the GIS Layer Options – Simple dialogue box, set the Against drop
down list option to MonitoringUnit
 Turn on Exceedances Only
 Click OK
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 Review the map and labels (the map should appear similar to the figure below)
 Click the Label button again

 Set the Against drop down list option to Sampled_Date-Time
 Click OK + Allow to Move
 To move a label, left-click and hold the centre of a label box and to convenient
location (and release). Note a line connecting the label with its location point
 Review the map and labels (the map should appear similar to the figure below)
Mapping Soil Chemistry

Soil chemistry data can be mapped in an identical manner described above.
 From the Soil/Rock Chemistry Data Types, open the SChem1_Chemistry table
 From the Filter Panel construct a filter to include only the following ChemNames:
o Xylene Total
o Benzene
o Toluene
Follow the steps from the previous section describing preparation of a map of water
exceedances to produce a similar map for soil chemistry.
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Export data to other mapping software

ESdat has the ability to export to the commonly used geo-environmental visualisation
software packages, including MapInfo, ArcMap, Surfer and Google Earth.
Exporting to Surfer was described in Tutorial 1.
If these applications are available, practice some exports using the sample Water Chemistry
data.
Only ArcMap is able to support the formatted “Result Table” style labels produced in ESdat.
To Export data to other GIS/mapping software, stay at the Map Panel and click on the
software icon from the Export Panel (as shown in the figure below).
For further information on exporting into these packages, please see the Help Files.
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Tutorial 3-1

For use with ESDAT version 5

Tutorial 3.1 Analysing Chemistry

Exercise One: ESdat Chemistry Tables and Views..................................................................4

Chemistry Data Tables

Data Type: Water Chemistry

Exercise Two: Creating Chemistry Output Tables

 Close the dialog box

 Click on the Bold

 Select a suitable Matrix for the output table (e.g. water)

Exercise Three: Creating graphs with Chemistry Output Results

 Click Graph to generate an Excel spread sheet with series of graphs

 Select a different Template and review the output

 Turn on Calculate Linear Regression Trend

Exercise Four: Mapping with Chemistry Outputs

 Click ‘Apply Filter’

Rendering map symbols

 From both drop downs select Concentration

 Select a guideline from the list

 Click the Label button again

Mapping Soil Chemistry

Export data to other mapping software

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