## ----options, include=FALSE---------------------------------------------------
knitr::opts_chunk$set(
    collapse = TRUE,
    comment = "#>"
)

## ----load_package, eval=TRUE, message=FALSE, warning=FALSE--------------------
library(MetaboAnnotatoR)

## ----import_spectrum, eval=TRUE-----------------------------------------------
specObject <- data.frame(V1=c(70.0298, 85.0652, 90.0556, 98.024, 116.0353,
                            124.0766, 184.0981, 202.1085, 220.1185),
                        V2=c(13.965907, 13.534607, 100.0, 26.165537, 
                            15.383036, 25.231054, 28.578764, 43.017047, 
                            64.962005))

## ----set_lib_dir, eval=TRUE---------------------------------------------------
LibDir <- tempdir()

## ----run_function, eval=TRUE--------------------------------------------------
genFragEntry(specObject, 
            "Pantothenic acid",
            "[M+H]+",
            220.1179,
            DirPath=LibDir,
            "Pantothenic_acid_pos",
            noise=0.005,
            mpeaksScore=0.9, 
            mpeaksThres=0.1,
            mzTol=0.01)

## ----sessionInfo--------------------------------------------------------------
sessionInfo()