LipidMS (version 1.0.0)

getInclusionList: Obtain an inclusion list from the annotation results

Description

Obtain an inclusion list from the annotation results.

Usage

getInclusionList(results, adductsTable = LipidMS::adductsTable)

Arguments

results

data frame. Output of identification functions.

adductsTable

data frame with the adducts allowed and their mass difference.

Value

Data frame with 6 columns: formula, RT, neutral mass, m/z, adduct and the compound name.

Examples

# NOT RUN {
results <- idPOS(LipidMS::MS1_neg, LipidMS::MSMS1_neg, LipidMS::MSMS2_neg)
getInclusionList(results$results)
# }
# NOT RUN {
# }