empower 3 fr2 getting started with custom fields - … 3 fr2 getting started with custom fields by...

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


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.


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.


Login:System/Manager


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


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


Input Data in Run Samples/Alter Sample

Sample Set Information Sample Information Component Information

Recovery


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.


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


You can also activate the CF at the tab Custom Fields with Update in an open Project

Field Name: BatchNr


CF: Supermarket


Supermarket


Open Start Window


In E3 you can also open Alter Sample from the Review window. We will do that next time

or


At the end save and close Alter Sample


We create a View Filter to show the new CF’s


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


CF: Extr_Time and Norm_Area


Extr_Time


CF: Norm_Area=Area/Extr_Time


Norm_Area


Go To Project

CF: Norm_Area=Area/Extr_Time


Activate the CF’s and go with the Sample Set to Review


Enter Extr_Time in Alter Sample


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


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]


Field= Caf[Area]/ThBr[Area]

Type Caf and ThBr and select Area Type Brackets [],

they are NOT in the operations window


Field Name : Area_Ratio


Go To Project


At the end close Review

View Results


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


Delete Caf[ and Thbr[ and replace it with CCompRef1 and 2

CCompRef1[Area]/CCompRef2[Area]


Go to Project


Go to View>View Processing Method Layout

CCompRef1[Area]/CCompRef2[Area]


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.


Go To Project


Another way to create a third line is with a timed group


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


REPLACE(Norm_Area,Area_Ratio)


Field Name: Norm_Area_Ratio


Go To Project


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


Round_Area=ROUND(Area,2)


Go To Project


Close Review


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


Area*CConst1


Corr_Area


Go To Project


Close Review


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


Recovery


Area*Recovery


Enter recovery values in Alter Sample


After the recovery has been entered save and close Alter Sample


Close Review and the Project Exit Empower and turn the notebook off

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