Nordic User Meeting 2013

Empower 3 FR2
Advanced Custom Fields
Boolean/Enumerated
and
Inter Sample Calculations
By

Ronald Haas
Service Data Specialist/Certified Trainer
Central Europe
Custom Field (Examples)
 Determination of Theobromine (ThBr) and Caffeine (Caf) In
Tea is used as Custom Field examples

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Login:System/Manager

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Open Project: CustomFieldsPart_Two and minimize it.
This project we will use for the entire workshop

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Explanation Custom Fields flowchart

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 Boolean Custom Field
A Boolean custom field is where you assign the Bool data type and
use special functions to return True or False.
Boolean Functions
GT( Greater than
GTE( Greater than or equal
LT( Less than
LTE( Less than or equal
EQ( Equal
NEQ( Not equal
EQI ( Equal, case insensitive
NEQI( Not equal, case insensitive
RANGE( Range
ENUM( Enumeration
Boolean Operators
& AND
| OR
, Comma separator
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 Example 1 Boolean CF
Examples:
GT(Area,20000)
Any Area above 10000 is true
GT(ThBr[Area],20000)
The Area of ThBr above 20000 is true
GT(ThBr[Area],20000)&GT(Caf[Area],400000)
The Area of ThBr above 20000 and the Area of Caf above 400000 is true
GT(ThBr[Area],20000)|GT(Caf[Area],400000)
The Area of ThBr above 20000 or the Area of Caf above 400000 is true
GT(CCompRef1[Area],CConst1)
CCompRef1 and CConst1 are specified in the Processing Method

20000
400000 ©2010 Waters Corporation | COMPANY CONFIDENTIAL 8
GT(CCompRef1[Area],CConst1)

Go To Project
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2 1

Always first make the CF active in the project

Then take the Sample Set in Review

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 Process

GT(CCompRef1[Area],CConst1)

Save Processing Method , Close Review

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Change CF existing to meet criteria: ThBr>20000 and Caf>400000

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GT(CCompRef1[Area],CConst1)&GT(CCompRef2[Area],CConst2)

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Go To Project
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 GT(CCompRef1[Area],CConst1)&GT(CCompRef2[Area],CConst2)

Save Processing Method, Close Review

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 Example 2: Enumeration Custom Field

 Definition :A custom field with Enumeration is a data type

with one ore more Boolean expressions

 A Boolean always has two statements

Fail/Pass
GT(CCompRef1[Area],CConst1)

 A Enumeration has more than two possible answers

Low/Good/High

ENUM(LT(CCompRef1[Area],CConst1),RANGE(CCompRef1[Area],CConst1,CConst2)
,GT(CCompRef1[Area],CConst2))

 The same functions and operators apply as in Boolean

 An Enumerated CF always starts with: Enum

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Sometimes a Field is too big and does not fit the window.
When you get an error message:
Copy the Field to Word or Wordpad where it is easier to troubleshoot.

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 Copy to word

ENUM(LT(CCompRef1[Area],CConst1),RANGE(CCompRef1[Area],CConst1,CConst2),
GT(CCompRef1[Area],CConst2))

Copy this back

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ENUM(LT(CCompRef1[Area],CConst1),RANGE(CCompRef1[Area],CConst1,CConst2),
GT(CCompRef1[Area],CConst2))

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 ENUM(LT(CCompRef1[Area],CConst1),RANGE(CCompRef1[Area],CConst1,CConst2),GT(CCompRef1[Area],CConst2))

Close review ©2010 Waters Corporation | COMPANY CONFIDENTIAL 22

 Example 3 Boolean CF Area_Limit/Area_GT05
(Explanation of Use As)
Calculate the % Area above 0.5% of the Main Component Caf.

First Custom Field: Area_Limit=GT(Area,(Caf[Area]*0.005))

Caf

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GT(Area,Caf[Area]*0.005)
GT(Area,(Caf[Area]*0.005))
GT(Area,(Caf[Area]*0.005))

Go To Project
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Close
Review

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 Example 2 Boolean CF Limit
Change the Caf to CCompRef1!!!!!!!!!! To make it more general

GT(Area,(CCompRef1[Area]*0.005))

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GT(Area,CCompRef1[Area]*0.005)

Go To Project
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 GT(Area,(CCompRef1[Area]*0.005))

Close
Review
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CCompRef
•Custom Component Reference, the field in the Components table that identifies one or more
peaks to be referenced when custom results are to be calculated based on the specified peaks.
Use CCompRef1 to CCompRef3 where average ratios and other interpeak calculations are needed
for calculation.
•The field in the Processing Method window that specifies a peak to be used in a custom
calculation formula applied to all components in a result.

CCalRef
•Custom Calculation Reference, the field in the Processing Method window that specifies a
reference peak to be used in a custom calculation that is applied to all components in a result.
CCalRef is used for calculating interpeak custom results for all peaks in the Components table (in
the Processing Method window).

Change CCompRef1 to CCalRef1

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GT(Area,CCalRef1[Area]*0.005)

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Save and
Close review
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Next step is to multiply the Area with Area_Limit.

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Area*Area_Limit

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Save and
Close Review

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 Boolean CF : Use As

Use as: Position calculates with the value column then

you can enter text in the translation column.
With this CF it not possible to use in further calculations.

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GT(Area,CCalRef1[Area]*0.005)

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Close
Review

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 Boolean CF : Use As
Use as: Fields combines the entered text with a parameter, here Area.
Only Area in the translation column writes the text “Area” and with (fc) behind it,
Empower writes the Area. But you cannot use it for any further calculation.

Change Position to Field and Translation

to Area (fc)

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Close
Review

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To exclude the Caf Area: change Area_Limit to:
GT(Area,CCalRef1[Area]*0.005)&NEQ(Area,CCalRef1[Area])
and set the Use As back to Position

GT(Area,CCalRef1[Area]*0.005)&NEQ(Area,CCalRef1[Area])

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Next create a Custom Field to summarize the Area above 0.5%

SUM(Area_GT_05)

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Close
Review

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And finally: Custom Field Pct_Area_Gt05=Area_GT_05/Sum_Area_Gt05*100

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 Area_GT_05/Sum_Area_GT05*100
Area_GT_05/Sum_Area_Gt05*100

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Close
Review

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InterSample Calculations:

 Syntax:
Label.Injection.Channel(Field)
 Example:
—S0101.1.”Acquity TUV ChA”(Area)
—This would take the area of this TUV channel of
the first injection of the sample labeled “S0101”
and plug it into the calculation.
—Comments:
o You can omit parts of the syntax but don’t omit
the periods
• Label.Inj.(Field) = No Channel
• Label..Channel(Field) = No Injection
• Label..(Field) = No Inject or Channel
• .Inj.(Field) = No Label or Channel

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 Example 4: Blank subtraction
In the Blank we have a peak that interferes with Caffeine. To correct this we
subtract the Blank area from the Standard and Sample areas

We create CF:
Corr_Area=Area-(BL..(Area))

And use this in the Comp. Table as the Y-ax

value

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Use Result Set Only to be
sure that the Blank injection
comes from the same Sample
Set.
Must process the
Sample/Result Set Area-BL.1.(Area)

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 In Review:
First Change the Proc.Mth.
and Alter Sample

Save PM and
close Review
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Because of the “Result Set Only” Process the Sset to get a ResSet

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Close Review
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Example 5:
Average between 2 injections of the same vial

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 Mean_Area

(.1.(Area)+.2.(Area))/2

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Create a Report to view the results or use tab Peaks with a View filter

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Summarized Custom Fields

Summary Functions are:

Prod Multiplication
AVE Average
MAX Maximum value
MIN Minimum value
SUM Summation
%RSD Percent Relative Standard Deviation
•Syntax for Custom Field with summarize
function :
Label.Injection.Channel.Function(Field)

First CF: AVE_Area= …AVE(Area)

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 AVE_Area

...AVE(Area)

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On the way back it calculates the summarized custom fields
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Summarize Custom Field Incrementally Calculations

Empower calculates according to the brackets

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We change this CF to average both injections with %

% is everything (wildcart) like * in windows.

? is one character

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.%..AVE(Area)

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First CustomFields Update then Result Set Process using Existing Integration and
Quantitate Only adds the new results to the same Result Set.

Calibrate and Quantitate always gives a new Result Set

Go To Peak with View Filter LastResults

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First CustomFields Update then Result Set Process using Existing Integration and
Quantitate Only

…AVE(Area) .%..AVE(Area)

Next example is the average of two vials with the same label

% is everything (wildcart) like * in windows.

? is one character
SAME is all with the same label

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SAME.%..AVE(Area)

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First Update the CustomFields then Result Set Process using Existing Integration and
Quantitate Only Then Go To Peaks using last results.

…AVE(Area) .%..AVE(Area)

SAME.%..(Area)

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At last we do want only a value at the second injection with CF .%..AVE(Area),
For this there are:

Used in CF’s like:

EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*-60004

Here it says that only when

Injection=2 Empower must do the calculation: .%..AVE(Area)
And
Only when Injection=1 must write NA (Not Applicable) acording to the table

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 EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*-60004

EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*-60004

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First Update the CustomFields then Result Set Process using Existing Integration and
Quantitate Only Then Go To Peaks using last results.

…AVE(Area) .%..AVE(Area)

SAME.%..(Area) EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*-60004

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EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*-60004

EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*50000

EQ(Injection,2)*.%..AVE(Area)+EQ(Injection,1)*-50000

EQ(Injection,2)*.%..AVE(Area)-EQ(Injection,1)*50000

EQ(Injection,2)*.%..AVE(Area) -EQ(Injection,1)*50000
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 If you have time
Last example
Goal: From 2 injections from the same vial calculate for one peak

HighestAre a
%difference ( *100 ) 100
LowestArea

GT((.1.(CCompRef1[Area])),(.2.(CCompRef1[Area])))*((.1.((CCompRef1[Area]))/.2.(CCompRef1[Area])*100)-100)+
GT((.2.(CCompRef1[Area])),(.1.(CCompRef1[Area]))) *((.2.((CCompRef1[Area]))/.1.(CCompRef1[Area])*100)-100)

Specify Caf as CCompRef1 in the processing method component table.

When the Area of Caf. from the first injection is larger then the second
Divide the first injection by the second
And (+)
When the Area of Caf from the second injection is larger then the first
Divide the second injection by the first

Use Sample Set: Tea_2_InjProcess with Acq Method Set

Verify in tab Peaks and create View Filter for it

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0.5% is the limit of difference.
Create a CF that will mark this
With the result at the Injection 2

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 The End
Congratulations
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Custom Fields overview and View Filter

View filter CF ID Descending lists the CF’s in order of create date

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