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Empower 3 FR2
Getting started with
Custom Fields
By
Ronald Haas
Service Data Specialist/Certified Trainer
Central Europe
Nordic User Meeting 2013
©2010 Waters Corporation | COMPANY CONFIDENTIAL 2
Custom Field (Examples)
Determination of Theobromine (ThBr) and Caffeine (Caf) In
Tea is used as Custom Field examples
©2010 Waters Corporation | COMPANY CONFIDENTIAL 3
What is a custom field?
A field is a column of information in a table.
A custom field is a user-defined field in a table.
Custom fields can be descriptors and formulas.
©2010 Waters Corporation | COMPANY CONFIDENTIAL 4
Where are custom fields located? (1)
Custom fields are created in a Project.
You must have the Alter Any Project and Create
Custom Fields privileges to create a custom field.
There are 5 privileges specific to custom fields>
Create, Alter, Delete, Lock and Unlock.
©2010 Waters Corporation | COMPANY CONFIDENTIAL 5
Login:System/Manager
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©2010 Waters Corporation | COMPANY CONFIDENTIAL 7
Default Custom Fields
Dilution – Specifies the dilution factor by which
Empower software divides the calculated amount or
concentration of each standard component (during
calibration). During quantitation, Empower software
multiplies the amount read from the calibration curve
(of the standard components) by the dilution value to
calculate amounts for each unknown sample.
SampleWeight – Specifies the sample weight factor
by which Empower software (during calibration)
multiplies the calculated amount or concentration of
each standard component. During quantitation,
Empower software divides the amount read from the
calibration curve (of the standard components) by the
sample weight value to calculate amounts for each
unknown sample.
SampleName – Can change width and entry required
©2010 Waters Corporation | COMPANY CONFIDENTIAL 8
Custom Field
One Value per Field SampleSet Sample Component
Run Samples Run Samples Run Samples
Alter Sample Alter Sample Alter Sample
(SampleSet Button) (Sample Loading Table) (Amounts Button)
View: View:
SampleSet
Injections, Channels Injections, Channels
ResultSets, Results Results, Peaks
Review:2D Channels Table
Results.
Reports Reports
Enter value in:
Display Value
Result Peak
View: View:
Results, Peaks Peaks
Review: Review:2D Channels Table Peak Table
Results Results
Reports Reports
Display Value
Calculated Values
Input Through: Keyboard or Toolkit (external)
Fields and Types
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Input Data in Run Samples/Alter Sample
Sample Set Information Sample Information Component Information
Recovery
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Examples: BatchNr and Supermarket
Sample CF: BatchNr
To add extra sample Information next to the
SampleName
And
SampleSet CF: Supermarket
to add information like:
Lidl, Aldi, COOP, REWE, Albert Hein………
We begin with a Sample CF and enter a number as text. Next we create a Enum Sample Set CF with a pull down menu to enter the info.
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Use External for input from a LIM System With “Data entry is required” selected, the Sample Set will not start when this CF column is empty Default value will enter this value automatically when the line is selected in Run sample.
CF: BatchNr
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You can also activate the CF at the tab Custom Fields with Update in an open Project
Field Name: BatchNr
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CF: Supermarket
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Supermarket
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Open Start Window
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In E3 you can also open Alter Sample from the Review window. We will do that next time
or
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At the end save and close Alter Sample
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We create a View Filter to show the new CF’s
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How strong tea is, depends on the extraction time
(The time the tea bag is in the water)
The Area of the peaks relates to this extraction time.
In the next example we enter that time in a:
Sample CF: Extr_Time
To normalize the ThBr and Caf area’s, we create a:
Peak CF: Norm_Area =Area/Extr_Time
next example:
Go To: Configure the System
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CF: Extr_Time and Norm_Area
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Extr_Time
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CF: Norm_Area=Area/Extr_Time
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Norm_Area
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Go To Project
CF: Norm_Area=Area/Extr_Time
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Activate the CF’s and go with the Sample Set to Review
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Enter Extr_Time in Alter Sample
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Enter Extr_Time
Process
View Results At the end
close Review
save an close Alter Sample
Scroll with Next Injection
To see the other Chromatograms
©2010 Waters Corporation | COMPANY CONFIDENTIAL 32
Next Example: Area_Ratio
My perfect Tea has a Caf/ThBr ratio of 15.
To calculate this with CF’s we create the
following CF:
Area_Ratio=Caf[Area]/ThBr[Area]
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Field= Caf[Area]/ThBr[Area]
Type Caf and ThBr and select Area Type Brackets [],
they are NOT in the operations window
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Field Name : Area_Ratio
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Go To Project
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At the end close Review
View Results
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Drawbacks
Both lines have ratio values
Need new CF for every peak name
We can create a more general CF with the use of
CCompRef1 and CCompRef2
and specify the component names in the Component
table of the processing method.
We will change now the CF: Area_Ratio
©2010 Waters Corporation | COMPANY CONFIDENTIAL 40
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Delete Caf[ and Thbr[ and replace it with CCompRef1 and 2
CCompRef1[Area]/CCompRef2[Area]
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Go to Project
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Go to View>View Processing Method Layout
CCompRef1[Area]/CCompRef2[Area]
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Add ratio in the Component table. Change CCompRef1,2. Process. A missing peak has no Area_Ratio. Therefore we will change this CF. Save Processing Method.Close Review.
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Go To Project
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Another way to create a third line is with a timed group
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Peak CF: Norm_Area_Ratio=REPLACE(Norm_Area,Area_Ratio)
This CF will first look what is in Norm_Area and write that in Norm_Area_Ratio. When
the field is empty it writes the value from Area_Ratio
Next Example: REPLACE and ROUND
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REPLACE(Norm_Area,Area_Ratio)
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Field Name: Norm_Area_Ratio
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Go To Project
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©2010 Waters Corporation | COMPANY CONFIDENTIAL 58 Exit Review
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ROUND (field,#)
For example> — ROUND(25.678,0) will be rounded to 26
— ROUND(256575.36,3) will be rounded to 257000
— ROUND(25.657536,-3) will be rounded to 25.658
We will round the “Area”
CF: Round_Area=Round(Area,2)
Other examples are> Plate Count and in GPC> Mn Mw etc
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Round_Area=ROUND(Area,2)
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Go To Project
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Close Review
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Use CConst when you have to enter for every component another
value. Which is constant within a Processing Method.
CF: Corr_Area=Area*CConst1
Next Example: CConst1-7
©2010 Waters Corporation | COMPANY CONFIDENTIAL 67
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Area*CConst1
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Corr_Area
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Go To Project
©2010 Waters Corporation | COMPANY CONFIDENTIAL 71
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Close Review
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When the value is not constant within a Processing Method.
You then can create a Component Type CF and multiply that with
the Area.
Change the Corr_Area CF with this Component CF Type.
Component CF: Recovery
Change: Corr_Area=Area*Recovery
CF: Recovery
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Recovery
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Area*Recovery
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Enter recovery values in Alter Sample
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After the recovery has been entered save and close Alter Sample
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Close Review and the Project Exit Empower and turn the notebook off