Improving Laboratory Productivity with Custom Fields and Calculations Nisar Ahmed Waters Educational Services United Kingdom
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1 Improving Laboratory Productivity with Custom Fields and Calculations Nisar Ahmed Waters Educational Services United Kingdom 2011 Waters Corporation 1
2 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 2
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 Waters Corporation 3
4 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 Waters Corporation 4
5 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 Waters Corporation 5
6 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 Waters Corporation 6
7 What Type of Field to Create? 2011 Waters Corporation 7
8 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 Waters Corporation 8
9 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 Waters Corporation 9
10 Field Type: Component Identifies an analyte (component). Entered in Component Editor: Run Samples window Alter Sample window Supported data type: Real Waters Corporation 10
11 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 Waters Corporation 11
12 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 Waters Corporation 12
13 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 Waters Corporation 13
14 What Data Type is Your Field? 2011 Waters Corporation 14
15 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) Waters Corporation 15
16 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
17 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
18 Operations/ Functions Mathematical Operators Mathematical Functions - Subtraction + Addition * Multiplication / Division ( Open Parenthesis ) Close Parenthesis ** Exponent ABS( COS( LN( LOG( SIN( SQRT( Absolute Value Cosine Natural Log Regular Log Sine Square Root 2011 Waters Corporation 18
19 Operations/ Functions Summary Functions AVE( MAX( MIN( Average Maximum Value Minimum Value SUM( Summation %RSD Percent Relative Standard Deviation 2011 Waters Corporation 19
20 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
21 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 Waters Corporation 21
22 Intersample Calculations User-defined mathematical calculation between samples Label.Injection.Channel(Field) Label from Sample Set Injection Number Detector Channel Peak or Result Parameter 2011 Waters Corporation 22
23 Intersample Summary Calculations User-defined mathematical calculation summarizing samples Injection Number Label.Injection.Channel.Summary Function(Field) Label from Sample Set Detector Channel Mathematical Peak or Result Parameter 2011 Waters Corporation 23
24 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 Waters Corporation 24
25 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
26 Sample Type Specifications Sample Type Result All Calculated for all samples Standards Only Unknowns Only Controls Only Calculated for standard samples only Calculated for unknown samples only Calculated for control samples only Standards and Unknowns Standards and Controls Controls and Unknowns Calculated for standard and unknown samples Calculated for standard and control samples Calculated for standard and unknowns samples 2011 Waters Corporation 26
27 Peak Type Specifications Peak Type All Founds Only Unknowns Only Groups Only Founds and Groups Founds and Unknowns Unknowns and groups Result Any peaks except missing peaks Found peaks only Unknown peaks only Group peaks only Found peaks and group peaks Found and unknown peaks Unknowns and group peaks 2011 Waters Corporation 27
28 Creating Custom Fields 2011 Waters Corporation 28
29 Select Project 2011 Waters Corporation 29
30 Creating Custom Fields 2011 Waters Corporation 30
31 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
32 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
33 Create New Sample Type Field Goal: Have the analyst enter a lot number for each sample 2011 Waters Corporation 33
34 Create New Sample Type Field 2011 Waters Corporation 34
35 Create New Sample Type Field 2011 Waters Corporation 35
36 Create New Sample Type Field 2011 Waters Corporation 36
37 Create New Sample Type Field 2011 Waters Corporation 37
38 Goal: Create a list of HPLC columns for an analyst to choose from 2011 Waters Corporation 38
39 Create New Sample Set Type Field 2011 Waters Corporation 39
40 Create New Sample Set Type Field 2011 Waters Corporation 40
41 Create New Sample Set Type Field 2011 Waters Corporation 41
42 Create New Sample Set Type Field 2011 Waters Corporation 42
43 Create New Component Type Field Goal: Have an analyst enter Label Claim in order to have Percent Label Claim calculated 2011 Waters Corporation 43
44 Create New Component Type Field 2011 Waters Corporation 44
45 Create New Component Type Field 2011 Waters Corporation 45
46 Create New Component Type Field 2011 Waters Corporation 46
47 Create New Component Type Field 2011 Waters Corporation 47
48 Create New Peak Type Field Goal: Have Empower calculate Percent Label Claim 2011 Waters Corporation 48
49 Create New Peak Type Field 2011 Waters Corporation 49
50 Create New Peak Type Field 2011 Waters Corporation 50
51 Create New Peak Type Field 2011 Waters Corporation 51
52 Create New Peak Type Field 2011 Waters Corporation 52
53 Create New Peak Type Field 2011 Waters Corporation 53
54 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
55 Create New Peak Type Field 2011 Waters Corporation 55
56 Create New Peak Type Field 2011 Waters Corporation 56
57 Create New Peak Type Field 2011 Waters Corporation 57
58 Create New Peak Type Field 2011 Waters Corporation 58
59 Create New Peak Type Field 2011 Waters Corporation 59
60 Hands-on Exercise Use the following project: Exercise 2011 Waters Corporation 60
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