# #——环境,回声= FALSE,消息= FALSE,警告= FALSE -------------------- 库(topdownr)图书馆(“BiocStyle ") ## ---- 引文,回声= FALSE,结果= "飞机 "------------------------------------- ct < -格式(引用(“topdownr”)、“textVersion”)猫(gsub(“DOI : *(.*)$", " DOI:\ \ [1] (https://doi.org/ \ \ 1)”,ct),“\ n ") ## ---- writeMethodXml eval = FALSE ----------------------------------------------- # 图书馆(“topdownr ") # # ## 创建MS1设置# MS1 < - expandMs1Conditions (# FirstMass = 400, # LastMass = 1200, #微扫描= as.integer (10 ) # ) # # ## 设置TargetMass # targetMz < - cbind (mz = c (560.6, 700.5, 933.7), z =代表(1、3 )) # # ## 设置常见设置#公共< -列表(# OrbitrapResolution =“R120K”,# IsolationWindow = 1, # MaxITTimeInMS = 200, #微扫描= as.integer (40),# AgcTarget = c (1 e5 5 e5, 1 e6 ) # ) # # ## 创建设置不同的分散条件# cid < - expandTms2Conditions (# MassList = targetMz #, # ActivationType =“cid”,# CIDCollisionEnergy = seq(7, 35岁,7)# # hcd < - expandTms2Conditions (# MassList = targetMz #, # ActivationType =“hcd”,# HCDCollisionEnergy = seq(7, 35岁,7)#)#等< expandTms2Conditions (# MassList = targetMz #, # ActivationType =“要领”,# ETDReactionTime=as.double(1:2) #) # etcid <- expandTms2Conditions(# MassList=targetMz， # common， # ActivationType="ETD"， # ETDReactionTime=as.double(1:2)， # etdentalactivation =" etcid "， # etdentalactivationenergy =as.double(1:2) #) # uvpd <- expandTms2Conditions(# MassList=targetMz， # common，# ActivationType="UVPD" #) ## ##用上述设置的所有组合创建实验## #片段优化# exps <- createExperimentsFragmentOptimisation(# ms1=ms1, cid, hcd, etd, etcid, UVPD， # groupBy=c("AgcTarget"， "replication")， nMs2perMs1=10，诽谤=0.5，#复制=2，randomise=TRUE #) ## ##将实验写入xml文件# writemethodxml (exps=exps) ## ##运行xmlmethodchang# runxmlmethodchang# (# modificationXml=list.files(pattern="^method.*\\.xml$")， # templateMeth="TMS2IndependentTemplateForTD. txt ")冰毒”,#可执行= " \ \ \ \ XmlMethodChanger.exe " # ) ## ---- ScanHeadsman eval = FALSE ------------------------------------------------- # runScanHeadsman(#路径=“路径\ \ \ \ raw文件”,#可执行= " \ \ \ \ ScanHeadsman.exe " # ) ## ---- sessioninfo -------------------------------------------------------------- sessionInfo ()