Calculated column functions in SCIEX OS software in the Analytics processing method

For research use only. Not for use in diagnostic procedures.

Answer

The use of calculated columns expands the functionality of SCIEX OS software, allowing users to add custom columns to their results table automatically. Custom calculations accelerate data processing, creating additional custom columns in the results table and automatically processing the raw data in a user-defined way to expand  data output beyond the default columns. 

Shown here are all the functions available in the calculated columns section that are available in all versions of SCIEX OS:

Calculated Column Functions Available in All Versions of SCIEX OS Software

	Function	Description
1	COUNT	Gets the number of items in a set
2	MAX	Gets the largest value in a set
3	STDEV	Standard Deviation. Gets a measure that is used to quantify the amount of variation or dispersion of a set of data values
4	SUM	Gets the sum of the list of numbers in a set
5	MIN	Gets the smallest value in a set
6	MEDIAN	Gets the value that divides the higher half of a data sample, population, or probability distribution from the lower half
7	MEAN	Gets the sum of a list of numbers divided by the number of numbers in the list
8	ABS	Gets the absolute value of the specified number
9	IF	Does a logical test; returns one value for a true result and another for a false result. Use nested IF functions to test more than one condition.
10	GET	Gets the value for the specified component
11	GETGROUP	Gets the value for the specified transition in a group
12	GETSTAT	Adds the Mean, Standard Deviation, Percent CV, or Average Accuracy across replicate columns shown in the Statistics pane to the Results Table

Calculated Column Syntax
The calculated column functions need to be written in the processing method in a specific way to return desired results. The syntax for some of the functions is explained below more fully for some of the calculated column functions. Please also consult the Help menu in SCIEX OS software for more information on how to write or use the custom column calculations correctly.

IF:  Syntax: IF(<condition>;value if true;value if false), where:

• <Condition> is a value or logical expression that can be found to be true or false.
• Value if true is a value in the results table when the condition is true.
• Value if false is a value in the results table when condition is false.

The IF function can be combined with other logical functions such as AND (&&) and OR (||) to extend a logical test. Additionally, the IF function permits other numeric functions (such as MEAN and STDEV) to be used in any of the IF formula, including the <Condition>, Value if true, or Value if false sections. IF statements can also be used to test traffic light columns, whereby a different color is displayed to illustrate if a value meets certain criteria: Mass Confidence, Fragment Mass Error Confidence, RT Confidence, Isotope Confidence, Library Confidence, Formula Confidence and Combined Rules. Confidence traffic lights can be tested for the values Green, Yellow, Red, or Grey. 

GET: Syntax: GET([Results table column name]; 'Component')

GETGROUP: Syntax: GETGROUP([Results table column name]; n), where: n is the number of the transition in the group. If no group is identified in the Components section, then the GETGROUP functions treats all components as members of the same group.

GETSTAT: Syntax: GETSTAT('Statistics pane column name';'Metric') where, the Statistics pane column name must be the same as the name of the column shown in the Statistics pane. Metric is the property for which the statistic will be calculated, such as: calculated concentration, area, height, and calibration Y-value. The GETSTAT function is available only when the following options are selected: 1) Group by Concentration for Standards or 2) Group by Concentration for QCs.

Filtering sample types with select functions
Users can selectively apply the a custom column function to certain sample types (unknowns, standards, QCs, and blanks). The following functions can be applied to a specific sample type: COUNT, MAX, MIN, MEAN, MEDIAN, STDEV, and SUM. Additional filters can be added to the custom column function to include sample types where the component name contains specific text, which is applied by selecting the checkbox next to "Only if the sample name contains..."



Additional resources on custom column functions
For more information regarding the syntax used in calculated columns, please refer to the Help section in the SCIEX OS software or review the linked knowledge articles below:

1) Syntax and IF function: What Is the Syntax Used in Calculated Columns of SCIEX OS Software?
2) GET and GETGROUP: How To Use GET And GETGROUP Functions In SCIEX OS Software
3) GETSTAT: How is the GETSTAT Function Used in SCIEX OS Software?
4) For a description of functions found in SCIEX OS version 3.3.1 please refer to the following knowledge article: Calculated Column Functions in SCIEX OS Software Version 3.3.1