Calculate Analyte Concentrations Based on Internal Standards

Analyte concentrations are calculated based on ISTD-normalized intensities and the corresponding spiked-in ISTD amount, normalized by the sample amount (single-point calibration approach). The concentration unit is determined from the sample_amount_unit field in the analysis metadata of the MidarExperiment object.

Usage

quantify_by_istd(data = NULL, error_missing_annotation = TRUE)

Arguments

data

A MidarExperiment object

error_missing_annotation

If TRUE, an error will be raised if any of the following information is missing: ISTD concentration, ISTD mix volume, and sample amounts for any feature. If FALSE, missing annotations will be ignored, and resulting feature concentration will be NA

Value

A MidarExperiment object with the calculated analyte concentrations added to the dataset table in the feature_conc column.

Details

The calculated concentrations are added to the dataset table as a new column named feature_conc.

See also

quantify_by_calibration() for calculating concentrations based on external calibration curves.