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©2011 Waters Corporation 1
Improving Laboratory Productivity with Custom Fields
and Calculations
Nisar Ahmed
Waters Educational Services
United Kingdom
©2011 Waters Corporation 2
Custom Fields
● 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
This section explains the following tasks:
©2011 Waters Corporation 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 or formulae.
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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.
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Custom Fields
●Custom fields are created in a Project.
●To create a custom field, you need the Alter Any Project and the Create Custom Fieldsprivileges.
●These privileges are specific to custom fields:
Create
Alter
Delete
Lock
Unlock.
●You can include custom fields in reports.
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Creating Custom Fields
● 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.
Recommended Approach
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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.
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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.
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Field Type: Component
●Identifies an analyte (component).
●Entered in Component Editor:
Run Samples window
Alter Sample window
●Supported data type: Real.
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Field Type: Peak
●User-defined mathematical calculation pertaining to a peak.
●Fields within a peak: Area/Amount
●Fields between peaks: Peak Name A[Area]/Peak Name B[Area]
●Found in any peaks table.
●Supported data types:
Integer, Real, Text, Date, Boolean, and Enumerated.
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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.
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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.
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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).
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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
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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))
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Mathematical Operators
- Subtraction
+ Addition
* Multiplication
/ Division
( Open Parenthesis
) Close Parenthesis
** Exponent
Mathematical Functions
ABS( Absolute Value
COS( Cosine
LN( Natural Log
LOG( Regular Log
SIN( Sine
SQRT( Square Root
Operations/ Functions
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Operations/ Functions
Summary Functions
AVE( Average
MAX( Maximum Value
MIN( Minimum Value
SUM( Summation
%RSD Percent Relative Standard Deviation
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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,
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•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.
Calculation Guidelines
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Intersample Calculations
•User-defined mathematical
calculation between samples
Label.Injection.Channel(Field)
Label from Sample Set
Detector Channel
Injection Number Peak or Result
Parameter
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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
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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.
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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)
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Sample Type Specifications
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
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Peak Type Specifications
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
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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
Project Properties
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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
Project Properties
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Create New Sample Type Field
Goal: Have the analyst enter a lot number for each sample
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Create New Component Type Field
Goal: Have an analyst enter Label Claim in order to have
Percent Label Claim calculated
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Create New Peak Type Field
Goal: Have Empower calculate Percent Label Claim
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Create New Peak Type Field
Goal: Have Empower notify an analyst if a sample is Outside
Potency Limits
or at Acceptable Potency
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