Improving Laboratory

Productivity with Custom Fields

and Calculations
Nisar Ahmed
Waters Educational Services

United Kingdom

2011 Waters Corporation

Custom Fields
This section explains the following tasks:
Defining a custom field
Understanding options available for
custom fields (Field Type, Data Type, Peak
Type, Sample Type)
Creating each type of custom field
Developing more complex fields

2011 Waters Corporation

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 or formulae.

2011 Waters Corporation

Why Use a Custom Field?

To store information about samples in the Empower

database.
To report information about your sample in an
Empower report.

To sort data by custom sample information.

To set Empower to perform calculations.

2011 Waters Corporation

Custom Fields
Custom fields are created in a Project.
To create a custom field, you need the Alter
Any Project and the Create Custom Fields
privileges.
These privileges are specific to custom fields:
Create
Alter
Delete
Lock
Unlock.
You can include custom fields in reports.
2011 Waters Corporation

Creating Custom Fields

Recommended Approach
Plan your custom fields on paper.
Work in a test project.
Ensure the custom field performs as expected.
Copy your custom field to other projects after
you verify its usability.

2011 Waters Corporation

What Type of Field to Create?

2011 Waters Corporation

Field Type: Sample

Describes samples, vials, and sample

parameters.
Used where information for each sample differs
Entered in:
Samples table of the Run Samples window
Alter Sample window
Supported Data Types:
Integer, Real, Text, Date, Boolean,
Enumerated.
2011 Waters Corporation

Field Type: Sample Set

Identifies a sample set.

Used when the information is the same for
the entire set of data.
Entered in:
Run Samples window
Alter Sample window
Supported data types
Integer, Real, Text, Date, Boolean,
Enumerated.

2011 Waters Corporation

Field Type: Component

Identifies an analyte (component).

Entered in Component Editor:

Run Samples window
Alter Sample window
Supported data type: Real.

2011 Waters Corporation

10

Field Type: Peak

User-defined mathematical calculation pertaining to a
peak.
Fields within a peak: Area/Amount
Fields between peaks:
Name B[Area]

Peak Name A[Area]/Peak

Found in any peaks table.

Supported data types:
Integer, Real, Text, Date, Boolean, and
Enumerated.
2011 Waters Corporation

11

Field Type: Result

User-defined mathematical calculation

pertaining to a result-level parameter.
One answer per chromatogram/ result.
Found in any results table.
Supported data types: Integer, Real, Text,
Date, Boolean, and Enumerated.

2011 Waters Corporation

12

Field Type: Distribution

Serves as slice-level parameter for GPC/V data;
calculated according to a specified formula.

Supported data types: Real, Boolean, and Enumerated.

2011 Waters Corporation

13

What Data Type is Your Field?

2011 Waters Corporation

14

Data Types

Integer (0): Whole number (without

fractional parts).
Real (0.0): Floating-point number entry
(can contain a fraction).
Text: Alphanumeric entry.
Date: Date entry by the user or from an
external source (for example, a peak field).
2011 Waters Corporation

15

Data Types

Boolean: On processing, Boolean

fields translate a mathematical
formula into a specific value or
answer
Operator (Field, Value)
Two possible answers: Yes/No,
Pass/Fail
May define a user-selectable choice

2011 Waters Corporation

16

Data Types

Enumerated: Enumerated fields have two possible

uses:

Provide a user with a list of possible answers

Translate multiple Boolean expressions into a
value or answer
ENUM(Operator(Field,Value),Operator(Field,Value),O
perator(Field,Value))

2011 Waters Corporation

17

Operations/ Functions
Mathematical Operators
-

Subtraction

Addition

Multiplication

Division

Open Parenthesis

Close Parenthesis

**

Exponent

2011 Waters Corporation

Mathematical Functions
ABS(

Absolute Value

COS(

Cosine

LN(

Natural Log

LOG(

Regular Log

SIN(

Sine

SQRT(

Square Root

18

Operations/ Functions

Summary Functions

2011 Waters Corporation

AVE(

Average

MAX(

Maximum Value

MIN(

Minimum Value

SUM(

Summation

%RSD

Percent Relative Standard Deviation

19

Calculation Guidelines
Evaluation is done left to right.
Sequence precedence for basic mathematical
operators is exponent, multiply, divide, add,
subtract (**, *, /, +, ).
The Precision limit parameter must be of a
sufficient value to display the calculated
result.

Use brackets when referencing a specific

peak or component field directly or with the
CCalRef1 and CCompRef1,
2011 Waters Corporation

20

Calculation Guidelines
CCompRef2, and CCompRef3 peak fields. For example, in
CCalRef1[Area], the field name must be enclosed in square
brackets.

When there is a missing peak, the AVE, MAX, MIN, or SUM

function calculates a result based only on peaks that were
found. To calculate using a standard value for missing peaks,
use the REPLACE function.
The ROUND function ROUND (field,#) allows you to round
large numbers in calculations
The REPLACE function allows you to replace a specific
example with another value.

2011 Waters Corporation

21

Intersample Calculations

User-defined mathematical
calculation between samples
Label.Injection.Channel(Field)
Label from Sample Set
Detector Channel
Injection Number

2011 Waters Corporation

Peak or Result
Parameter

22

Intersample Summary Calculations

User-defined mathematical calculation summarizing samples

Injection Number

Label.Injection.Channel.Summary Function(Field)
Mathematical
Label from Sample Set

Detector Channel
Peak or Result
Parameter

2011 Waters Corporation

23

Intersample Summary Calculations

Can omit up to 2 of the defining parameters and/or use

wildcards.

? - One character

% -Multiple number characters wildcard

Must include Summarize Custom Fields at end of Sample set.

2011 Waters Corporation

24

Intersample Label Rules

If you specify a label, the search order determines where to look for results.
If you do not specify a label, only the injections from the current row of the sample set
are considered. This is limited to the current result set. The search order has no effect
if a label is not specified.
If you specify a label, but do not specify an injection, the most recent results,
excluding the current result, are used.
If you do not specify an injection and a label, the current injection is used. In such a
case, you must specify a channel.
If you specify an injection, and do not specify a channel, the same channel that is
currently being processed is used.
You must specify a label, an injection, or a channel. Otherwise, the reference is to the
current injection and channel, and no additional syntax is required.
If you do not specify a channel, the channel that matches the current channel name is
used.
When you select to exclude a label, injection, or channel, the period symbol (.) must
still be used. This example only has injection specified: .2..AVE(Area)

2011 Waters Corporation

25

Sample Type Specifications

2011 Waters Corporation

Sample Type

Result

All

Calculated for all samples

Standards Only

Calculated for standard samples

only

Unknowns Only

Calculated for unknown samples

only

Controls Only

Calculated for control samples only

Standards and
Unknowns

Calculated for standard and

unknown samples

Standards and Controls

Calculated for standard and control

samples

Controls and Unknowns

Calculated for standard and

unknowns samples

26

Peak Type Specifications

2011 Waters Corporation

Peak Type

Result

All

Any peaks except missing peaks

Founds Only

Found peaks only

Unknowns Only

Unknown peaks only

Groups Only

Group peaks only

Founds and Groups

Found peaks and group peaks

Founds and Unknowns

Found and unknown peaks

Unknowns and groups

Unknowns and group peaks

27

Creating Custom Fields

2011 Waters Corporation

28

Select Project

2011 Waters Corporation

29

Creating Custom Fields

2011 Waters Corporation

30

Project Properties

Select NEW to create a new custom field

Select EDIT to modify a custom field

Select DELETE to delete a custom field

Select LOCK/UNLOCK to prevent a custom field from

being modified or allow for modification

2011 Waters Corporation

31

Project Properties

Select SAVE TO PROJECT to save a custom field to

other Projects
Select OK to accept changes and exit Project
properties
Select CANCEL exit the Project properties without
accepting changes

Select HELP for help with Project properties

2011 Waters Corporation

32

Create New Sample Type Field

Goal: Have the analyst enter a lot number for each sample

2011 Waters Corporation

33

Create New Sample Type Field

2011 Waters Corporation

34

Create New Sample Type Field

2011 Waters Corporation

35

Create New Sample Type Field

2011 Waters Corporation

36

Create New Sample Type Field

2011 Waters Corporation

37

 Goal: Create a list of HPLC columns for an analyst to choose

from

2011 Waters Corporation

38

Create New Sample Set Type Field

2011 Waters Corporation

39

Create New Sample Set Type Field

2011 Waters Corporation

40

Create New Sample Set Type Field

2011 Waters Corporation

41

Create New Sample Set Type Field

2011 Waters Corporation

42

Create New Component Type Field

Goal: Have an analyst enter Label Claim in order to have

Percent Label Claim calculated

2011 Waters Corporation

43

Create New Component Type Field

2011 Waters Corporation

44

Create New Component Type Field

2011 Waters Corporation

45

Create New Component Type Field

2011 Waters Corporation

46

Create New Component Type Field

2011 Waters Corporation

47

Create New Peak Type Field

Goal: Have Empower calculate Percent Label Claim

2011 Waters Corporation

48

Create New Peak Type Field

2011 Waters Corporation

49

Create New Peak Type Field

2011 Waters Corporation

50

Create New Peak Type Field

2011 Waters Corporation

51

Create New Peak Type Field

2011 Waters Corporation

52

Create New Peak Type Field

2011 Waters Corporation

53

Create New Peak Type Field

Goal: Have Empower notify an analyst if a sample is Outside
Potency Limits
or at Acceptable Potency

2011 Waters Corporation

54

Create New Peak Type Field

2011 Waters Corporation

55

Create New Peak Type Field

2011 Waters Corporation

56

Create New Peak Type Field

2011 Waters Corporation

57

Create New Peak Type Field

2011 Waters Corporation

58

Create New Peak Type Field

2011 Waters Corporation

59

Hands-on Exercise

Use the following project:

Exercise

2011 Waters Corporation

60