setAlignmentRank: Set Alignment rank to the aligned feature

In Roestlab/DIAlign: Dynamic Programming Based Alignment of MS2 Chromatograms

Description

Picks the top feature in run by comparing m-score to unaligned FDR and aligned FDR. If no satisfactory feature is found, peak-integration is carried out by mapping left and right peak boundaries from the reference feature and integrating area under the curve.

Usage

setAlignmentRank(df, refIdx, eXp, tAligned, XICs, params, adaptiveRT)

Arguments

df	(dataframe) a collection of features related to analyte_chr.
eXp	(string) name of the run to be aligned to reference run. Must be in the rownames of fileInfo.
tAligned	(list) the first element corresponds to the aligned reference time, the second element is the aligned experiment time.
params	(list) parameters are entered as list. Output of the paramsDIAlignR function.
adaptiveRT	(numeric) defines the window around the aligned retention time, within which features with m-score below aligned FDR are considered for quantification.
XICs.eXp	(list) list of extracted ion chromatograms from experiment run.

Value

invisible NULL

Author(s)

Shubham Gupta, [e-mail]

ORCID: 0000-0003-3500-8152

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

See Also

getMultipeptide, calculateIntensity, alignToRef

Examples

data(multipeptide_DIAlignR, package="DIAlignR")
data(XIC_QFNNTDIVLLEDFQK_3_DIAlignR, package="DIAlignR")
params <- paramsDIAlignR()
df <- multipeptide_DIAlignR[["14383"]]
df$alignment_rank[2] <- 1L
XICs.ref <- XIC_QFNNTDIVLLEDFQK_3_DIAlignR[["hroest_K120809_Strep0%PlasmaBiolRepl2_R04_SW_filt"]][["4618"]]
XICs.eXp <- XIC_QFNNTDIVLLEDFQK_3_DIAlignR[["hroest_K120809_Strep10%PlasmaBiolRepl2_R04_SW_filt"]][["4618"]]
## Not run: 
# Use getAlignedTimes() to get tAligned.
alignObj <- testAlignObj()
tAligned <- alignedTimes2(alignObj, XICs.ref, XICs.eXp)
setAlignmentRank(df, refIdx = 3L, eXp = "run2", tAligned, XICs.eXp,
params, adaptiveRT = 38.66)

## End(Not run)

Roestlab/DIAlign documentation built on Feb. 25, 2021, 5:18 p.m.