Empower 3 FR2 Advanced Custom Fields BooleanEnumerated and Inter Sample Calculations

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Empower 3 FR2

Advanced Custom Fields

Boolean/Enumerated

and

Inter Sample Calculations

By

Ronald Haas

Service Data Specialist/Certified Trainer

Central Europe

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Custom Field (Examples)



Determination of Theobromine (ThBr) and Caffeine (Caf) In

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

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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

Boolean Custom Field

A Boolean custom field is where you assign the Bool data type and

use special functions to return True or False.

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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

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Always first make the CF active in the project Then take the Sample Set in Review

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GT(CCompRef1[Area],CConst1)

Save Processing Method , Close Review Process

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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)

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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))

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The same functions and operators apply as in Boolean

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Sometimes a Field is too big and does not fit the window. When you get an error message:

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

GT(CCompRef1[Area],CConst2))

Copy to word

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

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Close review

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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))

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

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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

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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).

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Save and Close review

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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.

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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

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SUM(Area_GT_05)

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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:

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Syntax:

Label.Injection.Channel(Field)

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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

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Example 4: Blank subtraction

We create CF:

Corr_Area=Area-(BL..(Area))

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

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

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Use Result Set Only to be sure that the Blank injection comes from the same Sample Set.

Must process the

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In Review:

First Change the Proc.Mth. and Alter Sample

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Example 5:

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

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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)

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Summarize Custom Field Incrementally Calculations

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%

is everything (wildcart) like * in windows.

?

is one character

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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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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

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

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…AVE(Area) _{.%..AVE(Area)}

SAME.%..(Area)

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

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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

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

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…AVE(Area) _{.%..AVE(Area)}

SAME.%..(Area)

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

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©2010 Waters Corporation | COMPANY CONFIDENTIAL 78 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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Goal: From 2 injections from the same vial calculate for one peak

100 )

100 *

(

%

LowestArea

a

HighestAre

difference

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

If you have time Last example

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

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