calculateIntensity: Calculates area of a peak in XIC group

In DIAlignR: Dynamic Programming Based Alignment of MS2 Chromatograms

Description

Retention time from reference run is mapped to experiment run using AlignObj.

Usage

calculateIntensity(XICs, left, right, integrationType, baselineType, fitEMG)

Arguments

XICs	(list) list of extracted ion chromatograms of a precursor.
left	(numeric) left boundary of the peak.
right	(numeric) right boundary of the peak.
integrationType	(string) method to ompute the area of a peak contained in XICs. Must be from "intensity_sum", "trapezoid", "simpson".
baselineType	(string) method to estimate the background of a peak contained in XICs. Must be from "base_to_base", "vertical_division_min", "vertical_division_max".
fitEMG	(logical) enable/disable exponentially modified gaussian peak model fitting.

Value

(numeric)

Author(s)

Shubham Gupta, [e-mail]

ORCID: 0000-0003-3500-8152

License: (c) Author (2020) + GPL-3 Date: 2020-04-13

See Also

getMultipeptide, setAlignmentRank

Examples

data(XIC_QFNNTDIVLLEDFQK_3_DIAlignR, package="DIAlignR")
XICs <- XIC_QFNNTDIVLLEDFQK_3_DIAlignR[["run1"]][["14299_QFNNTDIVLLEDFQK/3"]]
## Not run: 
calculateIntensity(XICs, 5220, 5261, integrationType = "intensity_sum",
 baselineType = "base_to_base", fitEMG = FALSE)

## End(Not run)

DIAlignR documentation built on Nov. 8, 2020, 8:22 p.m.