Improving Laboratory Productivity with Custom …

1 2011 Waters Corporation1 Improving Laboratory Productivity with Custom Fields and Calculations NisarAhmedWaters Educational ServicesUnited Kingdom 2011 Waters Corporation2 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 fieldsThis section explains the following tasks: 2011 Waters Corporation3 What is a Custom field ? A fieldis a column of information in a table. A Custom fieldis a user-defined fieldin a table. Custom fields can be descriptors or formulae. 2011 Waters Corporation4 Why Use a Custom field ? To store information about samples in the Empower database. To report information about your sample in an Empower report.

2 To sort data by Custom sample information. To set Empower to perform calculations. 2011 Waters Corporation5 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. 2011 Waters Corporation6 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 Approach 2011 Waters Corporation7 What Type of field to Create? 2011 Waters Corporation8 field Type: Sample Describes samples, vials, and sample parameters.

3 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 Corporation9 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 Corporation10 field Type: Component Identifies an analyte (component). Entered in Component Editor: Run Samples window Alter Sample window Supported data type: Real. 2011 Waters Corporation11 field Type: Peak User-defined mathematical calculationpertaining 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.

4 Supported data types: Integer, Real, Text, Date, Boolean, and Enumerated. 2011 Waters Corporation12 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 Corporation13 field Type: Distribution Serves as slice-level parameter for GPC/Vdata; calculated according to a specified formula. Supported data types: Real, Boolean, and Enumerated. 2011 Waters Corporation14 What Data Type is Your field ? 2011 Waters Corporation15 Data Types Integer (0): Whole number (without fractional parts). Real ( ): Floating-point number entry (can contain a fraction).

5 Text: Alphanumeric entry. Date: Date entry by the user or from an external source (for example, a peak field ). 2011 Waters Corporation16 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 Corporation17 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 answerENUM(Operator( field ,Value),Operato r( field ,Value),Operator( field ,Value)) 2011 Waters Corporation18 Mathematical Operators -Subtraction+Addition*Multiplication/Div ision(Open Parenthesis)Close Parenthesis**ExponentMathematical FunctionsABS(Absolute ValueCOS(CosineLN(Natural LogLOG(Regular LogSIN(SineSQRT(Square RootOperations/ Functions 2011 Waters Corporation19 Operations/ FunctionsSummary FunctionsAVE(AverageMAX(Maximum ValueMIN(Minimum ValueSUM(Summation%RSDP ercent Relative Standard Deviation 2011 Waters Corporation20 Calculation Guidelines Evaluation is done left to right.))))))))))

6 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 Corporation21 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 Guidelines 2011 Waters Corporation22 Intersample Calculations User-defined mathematical calculation between ( field )Label from Sample Set Detector ChannelInjection NumberPeak or Result Parameter 2011 Waters Corporation23 Intersample Summary Calculations User-defined mathematical calculation summarizing samplesInjection ( field )Mathematical Label from Sample Set Detector ChannelPeak or Result Parameter 2011 Waters Corporation24 Intersample Summary Calculations Can omit up to 2 of the defining parameters and/or use wildcards.

7 ? -One character % -Multiple number characters wildcard Must include Summarize Custom Fields at end of Sample set. 2011 Waters Corporation25 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.

8 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: . (Area) 2011 Waters Corporation26 Sample Type SpecificationsSample TypeResultAllCalculated for all samplesStandards OnlyCalculated for standard samples onlyUnknowns OnlyCalculated for unknown samples onlyControls OnlyCalculated for control samples onlyStandards and UnknownsCalculated for standard and unknown samplesStandards and ControlsCalculated for standard and control samplesControls and UnknownsCalculated for standard and unknowns samples 2011 Waters Corporation27 Peak Type SpecificationsPeak TypeResultAllAny peaks except missing peaksFounds OnlyFound peaks onlyUnknowns OnlyUnknown peaks onlyGroups OnlyGroup peaks onlyFounds and GroupsFound peaks and group peaksFounds and UnknownsFound and unknown peaksUnknowns and

9 GroupsUnknowns and group peaks 2011 Waters Corporation28 Creating Custom Fields 2011 Waters Corporation29 Select Project 2011 Waters Corporation30 Creating Custom Fields 2011 Waters Corporation31 Select NEW to create a new Custom fieldSelect EDIT to modify a Custom fieldSelect DELETE to delete a Custom fieldSelect LOCK/UNLOCK to prevent a Custom field from being modified or allow for modificationProject Properties 2011 Waters Corporation32 Select SAVE TO PROJECT to save a Custom field to other ProjectsSelect OK to accept changes and exit Project propertiesSelect CANCEL exit the Project properties without accepting changesSelect HELP for help with Project propertiesProject Properties 2011 Waters Corporation33 Create New Sample Type field Goal: Have the analyst enter a lot number for each sample 2011 Waters Corporation34 Create New Sample Type field 2011 Waters Corporation35 Create New Sample Type field 2011 Waters Corporation36 Create New Sample Type field 2011 Waters Corporation37 Create New Sample Type field 2011 Waters Corporation38 Goal: Create a list of HPLC columns for an analyst to choose from 2011 Waters Corporation39 Create New Sample Set Type field 2011 Waters Corporation40 Create New Sample Set Type field 2011 Waters Corporation41 Create New Sample Set Type field 2011 Waters Corporation42 Create New Sample Set Type field 2011 Waters Corporation43 Create New Component Type field Goal.

10 Have an analyst enter Label Claim in order to have Percent Label Claim calculated 2011 Waters Corporation44 Create New Component Type field 2011 Waters Corporation45 Create New Component Type field 2011 Waters Corporation46 Create New Component Type field 2011 Waters Corporation47 Create New Component Type field 2011 Waters Corporation48 Create New Peak Type field Goal: Have Empower calculate Percent Label Claim 2011 Waters Corporation49 Create New Peak Type field 2011 Waters Corporation50 Create New Peak Type field 2011 Waters Corporation51 Create New Peak Type field 2011 Waters Corporation52 Create New Peak Type field 2011 Waters Corporation53 Create New Peak Type field 2011 Waters Corporation54 Create New Peak Type field Goal.