calibrate_lipidomics_wcmc: Calculate concentration by calibrating from internal...

In zhuchcn/Metabase: Data container, handling, and visualization for high through-put quantitative experiment data.

Description

Generic function for the LipidomcisSet-class object to calculate the concentration of each feature. The object must have a valid internal-standard slot in the experiment_data. It must also have the sample_volumn in ul in the experiment_data (slot name: sample_volumn_ul).

Usage

calibrate_lipidomics_wcmc(object, class, cid, ESI)

Arguments

object

a LipiomicsSet-class object

Details

The concentration of each feature is calculated as:

Conc_{i,j} = \frac{Intensity_{i,j}}{Intensity_{i,k}} \times \frac{Spiked_{k}}{Sample Vol_{i}}

Where the Conc_{i,j} is the calculated concentration of feature j in samplei. The Intensity_{i,j} is the raw MS intensity of feature j in samplei. The Intensity_{i,k} is the raw MS intensity of standard k, which has the same class as feature j, in sample i. The Spiked_{k} is the spiked amount in sample k. And the Sample Vol_{i} is the sample volumn used in the beginning of processing.

The returned concentration is in the unit of ug/ml

Value

a LipidomicsSet-class object

Author(s)

Chenghao Zhu

zhuchcn/Metabase documentation built on July 23, 2019, 1:36 p.m.