Tutorial 3-1 Analysing Chemistry - Environmental Data ... · PDF file(version 5 software updates available from ) 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

For use with ESDAT version 5

Tutorial 3-1 Analysing Chemistry www.esdat.com.au

Copyright @EarthScience Information Systems www.escis.com.au

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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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IntroductionThis 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-requisitesIt 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 LearningFollowing 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

http://www.esdat.net/esdathelp/index.html?tutorials.htm



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IntroductionIn tutorial 2, field and laboratory analytical chemistry data was imported into ESdat. In thistutorial 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 datatables 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 comparedagainst 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 andexport 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 DataTables 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 datatables 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 theESdat interface populates these tables.

The sample database ‘Sample Hydrogeology and Contam’ already contains data within theData Tables that has previously been imported to allow new users to explore ESdatfunctionality.

ESdat combines the ‘raw data’ from within the different Data Tables to produce desiredtables (often called ‘querying’ the database).

Commonly used data combinations (or queries) have been the pre-defined and can beaccessed through the green Data Type buttons in a row located towards the top of theESdat 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 analysisif 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 thecolumn headings and data within the tables

Data Panel

The ESdat interface features an area from which data within the database can be viewed. Ascan be seen in the figure below, data from the Chemistry_Results Data Table are visible incolumns.

Above the table grey three tabs are visible and are labelled Data, Map and Filter. These tabsopen 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 isopened. 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 shownin the figure below, which shows Water Chemistry has been selected). These buttons arereferred to as Data Type buttons.

The ‘Water Chemistry’ Data Type Button is designed to display results of chemical analysisof water and field parameters (contained within the Chemistry_Results andChemistry_Samples Data Tables) combined with other Data Tables (such as the Location andWells Data Tables, which contain location and groundwater well data).

Hovering the cursor over the Water Chemistry Data Type button prompts a drop down listto be created. From the list, the following options can be selected:

LChem1_Chemistry contains a combined view of data from the Data Tables describedabove

LChem3_milliEquivalents displays data with chemical concentration inmilliequivalents

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 dropdown 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 nodata.

Data Typebuttons



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Exercise Two: Creating Chemistry Output TablesESdat 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 ofthe ESdat Data Views screen.

In this exercise output tables presenting water chemistry compared with selectedassessment 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 filteringrequirements, while generating a filter in the main ESdat screen and using the “Use CurrentESdat Filter” option allows much more custom filters to be generated. Generating filters inthe 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 andall data within the ‘LChem1_Chemistry’ table will be used for creating the table in thisexercise.

Select Use Current ESDAT Filter (note the Filter Text Window is empty and so nocurrent 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 labgroupings or suites)



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o Location/Sample data (which fields are to appear with the chem data, suchas field ID, matric type, sample date etc. – note these can be reordered usingthe Up/Down buttons adjacent)

o Environmental Guidelines (if guidelines/standards/criteria have beenuploaded to ESdat, they will appear here)

o Comments & Statistics (check boxes – select to include with the tabulateddata)

A More Options button is also available and allows the user to control/vary the following (asshown 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 offield 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 highlightedwith 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 thespreadsheet – as shown in the figure above)

The Format Environmental Standard Exceedences dialogue box will open (as sohwnoverleaf)



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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 dataselection

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 outputtable

Constructing by Sample Batches / Lab Reports

As described earlier, a degree of quick filtering can be made to generate output tables basedon 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 andreview the output tables

In addition, explore the options presented via the More Options button, includingStatistics, Table Layout, Enviro Standards and Rename Headers tabs

Prepare output tables for Soil/Rock chemistry by selecting the SChem1_Chemistrytable from Soil/Rock Chemistry Data Types



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Exercise Three: Creating graphs with Chemistry Output ResultsESdat offers various options to produce graphical outputs of monitoring data using theProduce Graph plots in Excel tool (as shown in the figure below and located at the right ofthe Data Views view type in ESdat).

Clicking on the main body of the Graph button will automatically produce an Excel plot ofthe data selected in ESdat.

Graphing options can be varied prior to creating the graph by clicking the arrow at the rightof the Graph button (as shown in the figure above).

The appearance (Setup) of the charts can be specified, and chart templates modified asrequired to customise them for your reporting requirements.

ESdat includes modules to perform Mann Kendall Trend Analysis and Linear RegressionAnalysis on datasets.

Trend analysis results are shown on graph exports, by selecting the desired analysis optionin the Graph Data in Excel dialogue box.

Open LChem1_Chemistry table from Water Chemistry Data Type Button (as shown inthe 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 usedto generate the graphs. Standard Excel graph modification tools to change colour and designof graphs from within Excel.

Return to ESdat and click on the arrow at the right of the Graph button to open theGraph 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) willcreate 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, theConcentration 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 correspondingConcentration and Sample_Date-Time.

Separate charts (graphs) can be generated by checking the New Chart for changes incheckbox.

In the example presented in the figure above, a new graph is generated for each ChemNameand for Total or Filtered results.

Click List All Options – note all fields visible in the Data Panel now appear as optionsfor 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 Graphdata in Excel dialogue box

Explore the different combinations of data points, x-axis, y-axis and new chartgeneration

Different graph templates can be used in generating graphs. At the bottom of the Graphdata in Excel dialogue box, note the options to Add to Active Excel Chart or to select aTemplate.



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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 offcreate your report without any standards guideline.

Analysing Chemistry Trends

Selecting the Trend Analysis tab from the Graph data in Excel dialogue box displays thetrend 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 toMultiChart 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 trendanalysis 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 OutputsTutorial 1 introduced mapping and labelling locations within maps, including non-chemistryparameters (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 watersampling points with lead concentrations for the Lower Aquifer.

By combining the filtering and mapping features of ESdat, a map can be created to showthese 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 LowerAquifer 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 thefigure 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 thefigure overleaf). The following steps will present how to rename the layerLChem1_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 datapoints (locations) with lead results for the Lower Aquifer (the relevant layer must beselected on the right)

Change location symbol to solid red with white outline so that it stands out on top ofaerial image (refer to the Mapping Tutorial for guidance)

Click the Label button above the map window, opening the GIS Layer Option – Simpledialog box (as shown below)

Turn on the Show Value and Colour points by options thereby adding a map labelfrom 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 (samplelocation) on the map. The various coloured dot points showing on the map will indicatedifferent range of concentrations of Lead (note the colour scale that has appeared in thelayer list to the right of the map).

Change Label background to Transparent and remove the black outline box solocations 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 – Simpledialog 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 dropdown 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 convenientlocation (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 waterexceedances 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 visualisationsoftware 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 Chemistrydata.

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 thesoftware icon from the Export Panel (as shown in the figure below).

For further information on exporting into these packages, please see the Help Files.

Documents

Tutorial 3-1 Analysing Chemistry - Environmental Data ... · PDF file(version 5 software updates available from ) Tutorial 3-1 Analysing Chemistry For use with ESDAT version 5