improving laboratory productivity with custom fields · pdf file©2011 waters corporation...

©2011 Waters Corporation 1

Improving Laboratory Productivity with Custom Fields

and Calculations

Nisar Ahmed

Waters Educational Services

United Kingdom


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:


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.


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.


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.


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


What Type of Field to Create?


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.


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.


Field Type: Component

●Identifies an analyte (component).

●Entered in Component Editor:

Run Samples window

Alter Sample window

●Supported data type: Real.


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.


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.


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.


What Data Type is Your Field?


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).


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


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))


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


Operations/ Functions

Summary Functions

AVE( Average

MAX( Maximum Value

MIN( Minimum Value

SUM( Summation

%RSD Percent Relative Standard Deviation


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,


•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


Intersample Calculations

•User-defined mathematical

calculation between samples

Label.Injection.Channel(Field)

Label from Sample Set

Detector Channel

Injection Number Peak or Result

Parameter


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


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.


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)


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


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


Select Project


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


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


Create New Sample Type Field

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


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

from


Create New Sample Set Type Field


Create New Component Type Field

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

Percent Label Claim calculated


Create New Peak Type Field

Goal: Have Empower calculate Percent Label Claim



Goal: Have Empower notify an analyst if a sample is Outside

Potency Limits

or at Acceptable Potency


Hands-on Exercise

Use the following project:

Exercise

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