# # # R代码从装饰图案的iontree_doc来源。Rnw“# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块1号:iontree_doc。Rnw:保险# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # rm(列表= ls())图书馆(iontree)图书馆(iontreeData)数据(MS2RAW)数据(MS3RAW) ls()长(MS2RAW)属性(MS2RAW[[1]]) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块2号:iontree_doc。Rnw: 37-39 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # mzxml =执行(“mzxml / DIMS1。mzXML”,包= " iontreeData”) getMetaInfo (mzXML) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块3号:iontree_doc。Rnw: 47 - 61 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # mz = 554.5 mzDelta = 0.5 mzRange = c (mz-mzDelta, mz + mzDelta) rtRange = c (0600) idx = hasMS2 idx (MS2RAW, mzRange, rtRange)。一份= idx[1]一份= MS2RAW [[idx。一份]][[idx ms3 = MS3RAW。一份]]tree1 = buildIonTree (mzRange rtRange = c(0, 600),一份,ms3) tree1情节(tree1) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块数量4:iontree_doc。Rnw: 72 - 85 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # dbname =执行(“db / mzDB。db”,包= " iontreeData ") db = dbConnect (dbDriver (“SQLite”), dbname) sql = "选择mz,一份,ms3 mz mz = 596”q1 = dbSendQuery (db、sql) rs =获取(q1, n = 1)暗(rs) t1 = rs2iontree (rs) dbClearResult (q1) dbDisconnect (db)情节(t1[[1]]) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块5号:iontree_doc。Rnw: 92 - 97 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #查询= t1 @MS3 [[1]] [[2]] $ sp3 premz = t1 @MS3[[1]][[2]]美元premz premz searchMS2(查询、premz dbname scoreFun =“d”) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块6号:iontree_doc。Rnw: 100 - 101 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # searchMS2(查询、premz dbname scoreFun =“t”) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块7号:iontree_doc。Rnw: 104 - 105 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # searchMS2(查询、premz dbname scoreFun =“c”) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块8号:iontree_doc。Rnw: 114 - 130 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # dbname =执行(“db / mzDB。db”,包= " iontreeData ") db = dbConnect (dbDriver (“SQLite”), dbname) sql = "选择mz,一份,ms3 mz mz = 244”q1 = dbSendQuery (db、sql) rs =获取(q1, n = 1)暗(rs) t1 = rs2iontree (rs) dbClearResult (q1) dbDisconnect (db) x = t1 [[1]] @MS2暗(x) y = topIons(查询查询[1],[2],顶级= nrow (x)) x y轮(软木(x[2],[2]), 2) # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #代码块9号:iontree_doc。Rnw: 145 - 146 # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # sessionInfo ()