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
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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 Fields
privileges.
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
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.
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What Type of Field to Create?
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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:
Name B[Area]
Peak Name A[Area]/Peak
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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What Data Type is Your Field?
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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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Operations/ Functions
Mathematical Operators
-
Subtraction
Addition
Multiplication
Division
Open Parenthesis
Close Parenthesis
**
Exponent
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Mathematical Functions
ABS(
Absolute Value
COS(
Cosine
LN(
Natural Log
LOG(
Regular Log
SIN(
Sine
SQRT(
Square Root
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Operations/ Functions
Summary Functions
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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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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.
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Intersample Calculations
User-defined mathematical
calculation between samples
[Link](Field)
Label from Sample Set
Detector Channel
Injection Number
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Peak or Result
Parameter
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Intersample Summary Calculations
User-defined mathematical calculation summarizing samples
Injection Number
[Link] 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
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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
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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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Creating Custom Fields
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Select Project
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Creating Custom Fields
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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
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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
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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 Sample Type Field
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Create New Sample Type Field
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Create New Sample Type Field
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Create New Sample Type Field
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Goal: Create a list of HPLC columns for an analyst to choose
from
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Create New Sample Set Type Field
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Create New Sample Set Type Field
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Create New Sample Set Type Field
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Create New Sample Set Type Field
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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 Component Type Field
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Create New Component Type Field
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Create New Component Type Field
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Create New Component Type Field
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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
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Create New Peak Type Field
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Create New Peak Type Field
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Create New Peak Type Field
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Create New Peak Type Field
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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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Create New Peak Type Field
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Create New Peak Type Field
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Create New Peak Type Field
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Create New Peak Type Field
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Create New Peak Type Field
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Hands-on Exercise
Use the following project:
Exercise
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