Example 2: Flag the compound if R² lower than 0.99

• Scope: Peak or group (you want it for each compound)

• Type: String

• Search for the field R². It is a calibration curve item. In Data Analysis, there are two potential candidates: correlation coefficient and determination coefficient. Be sure you chose the one with the correct formula. The name is CalibrationCurve_DeterminationCoefficient or CalibrationCurve_CorrelationCoefficient.

• Search for the if syntax in the Common functions > Program Flow item: If(Expression as Boolean, TruePart as Object, FalsePart as Object) as Object

Formula

If(CalibrationCurve_CorrelationCoefficient >0.99, "Perfect","Recalibrate")

Another solution could be:

• Scope: Peak or Group

• Type: Boolean

• Formula: CalibrationCurve_CorrelationCoefficient>0.99